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Record Information
Version5.0
StatusPredicted
Creation Date2017-09-20 02:36:12 UTC
Update Date2021-09-14 15:39:06 UTC
HMDB IDHMDB0144089
Secondary Accession NumbersNone
Metabolite Identification
Common Name(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid
Description(4as,5as,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid is classified as a member of the tetracyclines. Tetracyclines are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups (4as,5as,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid is considered to be a practically insoluble (in water) and an extremely strong acidic compound (4as,5as,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid can be found in humans.
Structure
Data?1563877754
Synonyms
ValueSource
(4AS,5as,12as)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidateGenerator
Chemical FormulaC21H21ClN2O8
Average Molecular Weight464.86
Monoisotopic Molecular Weight464.0986433
IUPAC Name(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid
Traditional Name(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboximidic acid
CAS Registry NumberNot Available
SMILES
[H][C@]12C[C@@]3([H])C([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1C2O
InChI Identifier
InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14?,15?,21-/m0/s1
InChI KeyFMTDIUIBLCQGJB-FOMFVERFSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other groups.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassTetracyclines
Sub ClassNot Available
Direct ParentTetracyclines
Alternative Parents
Substituents
  • Tetracycline
  • Naphthacene
  • Tetracene
  • Anthracene carboxylic acid or derivatives
  • Tetralin
  • 4-halophenol
  • Aryl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Cyclohexenone
  • Aralkylamine
  • Phenol
  • Aryl chloride
  • Aryl halide
  • Benzenoid
  • Tertiary alcohol
  • Vinylogous acid
  • Secondary alcohol
  • Primary carboxylic acid amide
  • Tertiary aliphatic amine
  • Amino acid or derivatives
  • Tertiary amine
  • Carboxamide group
  • Ketone
  • Polyol
  • Carboxylic acid derivative
  • Enol
  • Organooxygen compound
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organohalogen compound
  • Carbonyl group
  • Amine
  • Alcohol
  • Organic nitrogen compound
  • Organochloride
  • Organonitrogen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0ALOGPS
logP-5ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)-2.9ChemAxon
pKa (Strongest Basic)13.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count7ChemAxon
Polar Surface Area182.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity125.29 m³·mol⁻¹ChemAxon
Polarizability43.66 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+201.78131661259
AllCCS[M-H]-205.49631661259
DeepCCS[M-2H]-229.96330932474
DeepCCS[M+Na]+204.48830932474
AllCCS[M+H]+201.832859911
AllCCS[M+H-H2O]+199.632859911
AllCCS[M+NH4]+203.732859911
AllCCS[M+Na]+204.332859911
AllCCS[M-H]-205.532859911
AllCCS[M+Na-2H]-206.132859911
AllCCS[M+HCOO]-206.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid[H][C@]12C[C@@]3([H])C([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1C2O5082.0Standard polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid[H][C@]12C[C@@]3([H])C([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1C2O2913.1Standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid[H][C@]12C[C@@]3([H])C([H])(N(C)C)C(O)=C(C(O)=N)C(=O)[C@@]3(O)C(O)=C1C(=O)C1=C(O)C=CC(Cl)=C1C2O3943.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #1CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123750.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #2CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123732.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #3CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123791.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #4CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123698.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #5CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123791.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #6CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123762.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TMS,isomer #7CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123694.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #1CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123622.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #10CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123584.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #11CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123558.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #12CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123609.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #13CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123686.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #14CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123633.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #15CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123620.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #16CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123624.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #17CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123566.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #18CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123521.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #19CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123671.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #2CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123666.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #20CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123635.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #21CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123574.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #3CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123581.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #4CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123684.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #5CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123607.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #6CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123572.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #7CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123631.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #8CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123547.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TMS,isomer #9CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123643.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #1CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123593.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #10CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123584.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #11CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123519.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #12CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123447.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #13CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123597.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #14CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123542.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #15CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123479.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #16CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123534.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #17CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123590.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #18CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123537.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #19CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123526.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #2CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123517.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #20CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123543.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #21CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123484.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #22CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123452.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #23CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123560.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #24CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123531.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #25CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123462.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #26CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123595.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #27CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123543.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #28CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123493.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #29CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123604.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #3CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123594.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #30CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123578.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #31CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123525.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #32CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123569.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #33CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123513.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #34CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123451.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #35CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123540.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #4CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123531.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #5CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123501.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #6CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123573.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #7CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123643.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #8CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123586.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TMS,isomer #9CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123542.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #1CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123546.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #10CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123448.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #11CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123605.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #12CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123550.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #13CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123472.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #14CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123610.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #15CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123552.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #16CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123493.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #17CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123557.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #18CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123483.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #19CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123419.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #2CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123607.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #20CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123501.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #21CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123558.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #22CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123513.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #23CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123475.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #24CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123562.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #25CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123525.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #26CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123473.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #27CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123515.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #28CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123476.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #29CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123419.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #3CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123555.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #30CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123483.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #31CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123568.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #32CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123507.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #33CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123458.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #34CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123530.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #35CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123470.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #4CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123512.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #5CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123556.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #6CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123494.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #7CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123444.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #8CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123558.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,4TMS,isomer #9CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123514.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #1CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123585.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #10CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123481.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #11CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123587.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #12CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123521.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #13CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123480.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #14CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123542.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #15CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123479.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #16CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123557.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #17CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123508.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #18CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123471.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #19CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123518.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #2CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123546.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #20CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123477.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #21CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123507.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #3CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123479.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #4CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123597.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #5CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123530.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #6CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123486.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #7CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123537.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #8CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123481.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,5TMS,isomer #9CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123423.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #1CN(C)C1C(O[Si](C)(C)C)=C(C(=N)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123598.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #2CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123530.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #3CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123501.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #4CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123542.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #5CN(C)C1C(O[Si](C)(C)C)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123495.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #6CN(C)C1C(O[Si](C)(C)C)=C(C(O)=N[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123546.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,6TMS,isomer #7CN(C)C1C(O)=C(C(=N[Si](C)(C)C)O[Si](C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C)[C@H]3C[C@@H]123536.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #1CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123987.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #2CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123934.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #3CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123991.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #4CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123938.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #5CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123990.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #6CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]123974.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,1TBDMS,isomer #7CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123904.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #1CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124046.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #10CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]123993.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #11CN(C)C1C(O)=C(C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124000.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #12CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124051.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #13CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124087.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #14CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124048.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #15CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124013.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #16CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124077.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #17CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124013.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #18CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123952.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #19CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124079.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #2CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124105.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #20CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124027.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #21CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]123980.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #3CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124033.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #4CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124096.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #5CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124046.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #6CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123994.1Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #7CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124035.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #8CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]123990.9Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,2TBDMS,isomer #9CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124046.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #1CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124209.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #10CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124216.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #11CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124131.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #12CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124071.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #13CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124227.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #14CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124160.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #15CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124083.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #16CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124158.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #17CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124220.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #18CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124153.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #19CN(C)C1C(O)=C(C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124153.8Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #2CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124143.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #20CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124183.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #21CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124110.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #22CN(C)C1C(O)=C(C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124097.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #23CN(C)C1C(O)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124188.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #24CN(C)C1C(O)=C(C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124172.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #25CN(C)C1C(O)=C(C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124105.4Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #26CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124225.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #27CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124142.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #28CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124098.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #29CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124216.2Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #3CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124225.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #30CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124172.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #31CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124097.3Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #32CN(C)C1C(O)=C(C(=N)O)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124195.6Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #33CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124130.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #34CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124048.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #35CN(C)C1C(O)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124145.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #4CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124155.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #5CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124141.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #6CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124190.5Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #7CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O[Si](C)(C)C(C)(C)C)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124265.0Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #8CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(=N)O)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O[Si](C)(C)C(C)(C)C)[C@H]3C[C@@H]124198.7Semi standard non polar33892256
(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid,3TBDMS,isomer #9CN(C)C1C(O[Si](C)(C)C(C)(C)C)=C(C(O)=N[Si](C)(C)C(C)(C)C)C(=O)[C@@]2(O[Si](C)(C)C(C)(C)C)C(O)=C3C(=O)C4=C(O)C=CC(Cl)=C4C(O)[C@H]3C[C@@H]124139.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (3 TMS) - 70eV, Positivesplash10-014i-1211319000-ba87367a63def0c0867e2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4r-9268400000-2d2bd4c2f3a0bb83bd572017-11-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_3_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_3_26) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_3_27) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_3_28) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_21) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_22) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_31) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_32) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_4_33) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_2) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_11) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_12) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_13) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_16) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_5_21) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid GC-MS (TMS_6_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 10V, Positive-QTOFsplash10-00kb-0000900000-feb3ec0908af5611d5742019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 20V, Positive-QTOFsplash10-000t-0100900000-45ec2b06bb0b107ed2a02019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 40V, Positive-QTOFsplash10-0a6r-6239600000-5486e9c57b7924c2c12b2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 10V, Negative-QTOFsplash10-03di-0000900000-d1760298860cb7d619ad2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 20V, Negative-QTOFsplash10-0uk9-0002900000-7f4b47cdb89229ae55532019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 40V, Negative-QTOFsplash10-0006-8097000000-e6227de646fb1b926dcd2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 10V, Positive-QTOFsplash10-014j-0000900000-8365c5f152c5a22a95e22021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 20V, Positive-QTOFsplash10-0002-0000900000-75cddbaf369b3867119d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 40V, Positive-QTOFsplash10-00kf-9477300000-baea6b51c0889f42a4e32021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 10V, Negative-QTOFsplash10-03di-0001900000-83e69916d0eaa19a7a752021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 20V, Negative-QTOFsplash10-0h01-0036900000-a7e7fa9bc08b12dc1d032021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid 40V, Negative-QTOFsplash10-0006-3074900000-79bd3c2124730e11c3172021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID26381918
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Djoumbou Feunang, Yannick (2017). Cheminformatics Tools for Enabling Metabolomics, 2017 (PhD thesis). University of Alberta.