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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:38:17 UTC
Update Date2022-03-07 02:52:38 UTC
HMDB IDHMDB0030665
Secondary Accession Numbers
  • HMDB30665
Metabolite Identification
Common Name3,5-Digalloylepicatechin
Description3,5-Digalloylepicatechin, also known as epicatechin 3,5-di-O-gallate, belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone. Based on a literature review a significant number of articles have been published on 3,5-Digalloylepicatechin.
Structure
Data?1563862019
Synonyms
ValueSource
Epicatechin 3,5-di-O-gallateHMDB
2-(3,4-Dihydroxyphenyl)-7-hydroxy-3-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-5-yl 3,4,5-trihydroxybenzoic acidHMDB
Epicatechin 3,5-digallic acidHMDB
Chemical FormulaC29H22O14
Average Molecular Weight594.4766
Monoisotopic Molecular Weight594.100955412
IUPAC Name2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
Traditional Name2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3,4,5-trihydroxybenzoyloxy)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
CAS Registry Number37484-74-5
SMILES
OC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C1
InChI Identifier
InChI=1S/C29H22O14/c30-14-8-22-15(23(9-14)42-28(39)12-4-18(33)25(37)19(34)5-12)10-24(27(41-22)11-1-2-16(31)17(32)3-11)43-29(40)13-6-20(35)26(38)21(36)7-13/h1-9,24,27,30-38H,10H2
InChI KeyRHDJFGKNTUPFEZ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassFlavonoids
Sub ClassO-methylated flavonoids
Direct Parent7-O-methylated flavonoids
Alternative Parents
Substituents
  • 3-methoxyflavonoid-skeleton
  • 4p-methoxyflavonoid-skeleton
  • 6-methoxyflavonoid-skeleton
  • 7-methoxyflavonoid-skeleton
  • 3'-hydroxyflavonoid
  • 5-hydroxyflavonoid
  • Flavone
  • Hydroxyflavonoid
  • 3-methoxychromone
  • Chromone
  • Benzopyran
  • Methoxyphenol
  • 1-benzopyran
  • Phenoxy compound
  • Anisole
  • Methoxybenzene
  • Phenol ether
  • Pyranone
  • Phenol
  • Alkyl aryl ether
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Benzenoid
  • Pyran
  • Monocyclic benzene moiety
  • Vinylogous acid
  • Heteroaromatic compound
  • Organoheterocyclic compound
  • Oxacycle
  • Ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
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
Water Solubility0.025 g/LALOGPS
logP3.32ALOGPS
logP4.43ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)7.75ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count9ChemAxon
Polar Surface Area243.9 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity145.53 m³·mol⁻¹ChemAxon
Polarizability56.95 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+232.97831661259
DarkChem[M-H]-230.21131661259
DeepCCS[M+H]+227.56330932474
DeepCCS[M-H]-225.73430932474
DeepCCS[M-2H]-258.97330932474
DeepCCS[M+Na]+233.16930932474
AllCCS[M+H]+232.332859911
AllCCS[M+H-H2O]+230.832859911
AllCCS[M+NH4]+233.632859911
AllCCS[M+Na]+233.932859911
AllCCS[M-H]-223.132859911
AllCCS[M+Na-2H]-223.932859911
AllCCS[M+HCOO]-225.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
3,5-DigalloylepicatechinOC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C17690.4Standard polar33892256
3,5-DigalloylepicatechinOC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C15345.4Standard non polar33892256
3,5-DigalloylepicatechinOC1=CC2=C(CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O2)C2=CC(O)=C(O)C=C2)C(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C15935.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
3,5-Digalloylepicatechin,1TMS,isomer #1C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15741.6Semi standard non polar33892256
3,5-Digalloylepicatechin,1TMS,isomer #2C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O5774.6Semi standard non polar33892256
3,5-Digalloylepicatechin,1TMS,isomer #3C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C=C1O5753.2Semi standard non polar33892256
3,5-Digalloylepicatechin,1TMS,isomer #4C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O5804.2Semi standard non polar33892256
3,5-Digalloylepicatechin,1TMS,isomer #5C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5813.6Semi standard non polar33892256
3,5-Digalloylepicatechin,1TMS,isomer #6C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O5778.6Semi standard non polar33892256
3,5-Digalloylepicatechin,1TMS,isomer #7C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)C=C1O5754.9Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #1C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15538.9Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #10C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5569.5Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #11C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5582.2Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #12C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5540.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #13C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O5556.1Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #14C[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)C=C1O5544.5Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #15C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5561.3Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #16C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O5552.7Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #17C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O5574.2Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #18C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O5553.7Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #19C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C5586.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #2C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15513.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5579.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #21C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5561.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O5591.2Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C5547.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #3C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15554.9Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #4C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15538.5Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #5C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15532.6Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #6C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15512.6Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #7C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O5564.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #8C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O5541.6Semi standard non polar33892256
3,5-Digalloylepicatechin,2TMS,isomer #9C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5576.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #1C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15431.6Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #10C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15312.7Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #11C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C15434.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #12C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15393.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #13C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15355.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #14C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15382.6Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #15C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15343.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #16C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15425.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #17C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15374.0Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #18C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O5452.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #19C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O5400.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #2C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15377.8Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #20C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5411.7Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #21C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5398.0Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #22C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O5448.6Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #23C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O5394.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #24C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5369.4Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #25C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5348.7Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #26C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5412.4Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #27C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C5373.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #28C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5471.9Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #29C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O5416.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #3C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15396.7Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #30C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C5459.0Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #31C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5456.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #32C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O5405.1Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #33C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5436.3Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #34C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5371.3Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #35C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O5351.8Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #36C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O5420.4Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #37C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C5381.9Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #38C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5338.8Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #39C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O5318.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #4C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15386.4Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #40C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C5424.0Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #41C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O5460.7Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #42C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O5409.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #43C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C5462.0Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #44C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C5426.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #45C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5476.5Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5420.4Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #47C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5445.1Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #5C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15384.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #6C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15347.2Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #7C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15355.6Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #8C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15343.8Semi standard non polar33892256
3,5-Digalloylepicatechin,3TMS,isomer #9C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15345.6Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #1C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15311.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #10C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C15296.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #11C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15147.5Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #12C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15104.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #13C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15129.7Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #14C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15095.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #15C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15236.7Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #16C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15207.5Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #17C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C15220.6Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #18C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15104.0Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #19C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15191.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #2C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15243.9Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #20C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15094.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #21C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15176.6Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #22C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15174.7Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #23C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15140.6Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #24C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C15292.7Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #25C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)OC2=C15219.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #26C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15243.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #27C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15210.3Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #28C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15224.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #29C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15192.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #3C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15226.9Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #30C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15305.3Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #31C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O5320.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #32C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5214.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #33C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5193.3Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #34C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O5306.6Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #35C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O5271.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #36C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O5193.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #37C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O5174.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #38C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O5275.0Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #39C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C5239.2Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #4C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15236.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #40C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5213.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #41C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5193.2Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #42C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C5271.0Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #43C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5192.6Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #44C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5174.3Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #45C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O5320.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #46C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O5193.5Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #47C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O5152.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #48C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C5195.9Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #49C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=CC=C1O5176.7Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #5C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15176.0Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #50C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O5134.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #51C[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5267.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #52C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O5340.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #53C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C5358.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #54C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)C=C1O[Si](C)(C)C5322.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #55C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=CC=C1O5324.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #56C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5193.4Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #57C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O5152.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #58C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C5197.2Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #59C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O5177.5Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #6C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C)C(O)=C3)OC2=C15213.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #60C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)=CC=C1O5136.3Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #61C[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C5272.2Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #62C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O)=C2)C=C1O[Si](C)(C)C5160.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #63C[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O5331.1Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #64C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C5360.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #65C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C5327.2Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #66C[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O[Si](C)(C)C)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O5345.5Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #7C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C)=C3)OC2=C15195.8Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #8C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15207.9Semi standard non polar33892256
3,5-Digalloylepicatechin,4TMS,isomer #9C[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C15143.0Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C16005.6Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O6029.4Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)C=C1O6059.0Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O6064.5Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6066.0Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O6035.2Semi standard non polar33892256
3,5-Digalloylepicatechin,1TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)C=C1O6063.3Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C16136.1Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)=CC=C1O6192.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O[Si](C)(C)C(C)(C)C)=C1O6182.5Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O[Si](C)(C)C(C)(C)C6142.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O6192.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC1=C(O)C=C(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)C=C1O6189.1Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)C=C1O6206.7Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=CC=C1O6198.1Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O6193.8Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC1=CC(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)=CC=C1O6198.1Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O[Si](C)(C)C(C)(C)C6197.2Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C16144.5Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6192.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #21CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O)=C2)C=C1O6206.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #22CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O[Si](C)(C)C(C)(C)C)=C1O6188.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #23CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O[Si](C)(C)C(C)(C)C6147.7Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)OC2=C16146.6Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(C3=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)OC2=C16140.8Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C16132.8Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1=CC(OC(=O)C2=CC(O)=C(O)C(O)=C2)=C2CC(OC(=O)C3=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C3)C(C3=CC=C(O)C(O)=C3)OC2=C16144.4Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2=CC(O)=CC3=C2CC(OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C(C2=CC=C(O)C(O)=C2)O3)=CC(O)=C1O6168.9Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1=CC(C(=O)OC2CC3=C(OC(=O)C4=CC(O)=C(O[Si](C)(C)C(C)(C)C)C(O)=C4)C=C(O)C=C3OC2C2=CC=C(O)C(O)=C2)=CC(O)=C1O6183.0Semi standard non polar33892256
3,5-Digalloylepicatechin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1=CC=C(C2OC3=CC(O)=CC(OC(=O)C4=CC(O)=C(O)C(O)=C4)=C3CC2OC(=O)C2=CC(O)=C(O)C(O[Si](C)(C)C(C)(C)C)=C2)C=C1O6191.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0udi-0900400000-cf341ca8286681cebc252017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (1 TMS) - 70eV, Positivesplash10-0udi-0900100000-9d00476c76415cc3ef622017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS ("3,5-Digalloylepicatechin,1TMS,#1" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_1_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_11) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_13) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 3,5-Digalloylepicatechin GC-MS (TMS_2_16) - 70eV, PositiveNot Available2021-10-15Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 10V, Positive-QTOFsplash10-0f97-0590450000-ff9e85c08281dd7038572016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 20V, Positive-QTOFsplash10-0umi-0960210000-f4b8659e8dc09602bf4a2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 40V, Positive-QTOFsplash10-0udi-0910000000-e52102a1658208d669c02016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 10V, Negative-QTOFsplash10-0006-0200390000-aa300945bf1857f88e432016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 20V, Negative-QTOFsplash10-0gbc-0923340000-4d21aa044e631ae1a42a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 40V, Negative-QTOFsplash10-0lfr-0930000000-6fe1217eb68f9858634e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 10V, Positive-QTOFsplash10-00mk-0201690000-99e235653e1d66551d9e2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 20V, Positive-QTOFsplash10-0fkj-0702980000-2cd87da398752e1260272021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 40V, Positive-QTOFsplash10-0pdr-2942150000-a9479a3d8888abcef02d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 10V, Negative-QTOFsplash10-0006-0000980000-136baa99a96f2b2241822021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 20V, Negative-QTOFsplash10-0fvi-0900470000-550522bfa9d36410196a2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 3,5-Digalloylepicatechin 40V, Negative-QTOFsplash10-05r0-0712190000-1011419c5903a4c6e27d2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
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 IDFDB002577
KNApSAcK IDC00008875
Chemspider ID3525015
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound4320064
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

General function:
Lipid transport and metabolism
Specific function:
Involved in the detoxification of xenobiotics and in the activation of ester and amide prodrugs. Hydrolyzes aromatic and aliphatic esters, but has no catalytic activity toward amides or a fatty acyl-CoA ester. Hydrolyzes the methyl ester group of cocaine to form benzoylecgonine. Catalyzes the transesterification of cocaine to form cocaethylene. Displays fatty acid ethyl ester synthase activity, catalyzing the ethyl esterification of oleic acid to ethyloleate.
Gene Name:
CES1
Uniprot ID:
P23141
Molecular weight:
62520.62
Reactions
3,5-Digalloylepicatechin → 3-Galloylcatechindetails
3,5-Digalloylepicatechin → 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-5-yl 3,4,5-trihydroxybenzoatedetails