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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2006-05-22 14:17:39 UTC
Update Date2022-03-07 02:49:13 UTC
HMDB IDHMDB0002157
Secondary Accession Numbers
  • HMDB02157
Metabolite Identification
Common Name27-Norcholestanehexol
Description27-Norcholestanehexol is a bile alcohol. Bile alcohols have been found to be present as minor components in the bile and urine in healthy subjects. Bile alcohols are end products for cholesterol elimination as well as major biliary constituents; in mammals, cholesterol is metabolized by additional enzymes that ultimately transform it to bile acids. Bile alcohols are preferentially excreted as glucuronides into the urine, which constitute about 10% of total bile acids. The excretion of glucuronidated bile alcohols in urine is suggested to reflect an alternative metabolism of intermediates in the normal biosynthesis of bile acids. (PMID: 6548247 , 11718684 ).
Structure
Data?1582752232
Synonyms
ValueSource
27-N-5-CHMeSH
27-Nor-5beta-cholestane- 3alpha,7alpha,12alpha,24alpha,24xi,25xi,26-hexolMeSH
27-Norcholestane-3,7,12,24,25,26-hexolMeSH
Chemical FormulaC26H46O6
Average Molecular Weight454.6398
Monoisotopic Molecular Weight454.329439204
IUPAC Name(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-2,15-dimethyl-14-[(2R)-5,6,7-trihydroxyheptan-2-yl]tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecane-5,9,16-triol
Traditional Name27-norcholestanehexol
CAS Registry Number91999-66-5
SMILES
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO
InChI Identifier
InChI=1S/C26H46O6/c1-14(4-7-20(29)22(31)13-27)17-5-6-18-24-19(12-23(32)26(17,18)3)25(2)9-8-16(28)10-15(25)11-21(24)30/h14-24,27-32H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20?,21-,22?,23+,24+,25+,26-/m1/s1
InChI KeyPYLPANOYZCSFOX-UCIVWCSPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pentahydroxy bile acids, alcohols and derivatives. These are bile acids, alcohols or derivatives bearing five hydroxyl groups.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassSteroids and steroid derivatives
Sub ClassBile acids, alcohols and derivatives
Direct ParentPentahydroxy bile acids, alcohols and derivatives
Alternative Parents
Substituents
  • Cholesterol-skeleton
  • Pentahydroxy bile acid, alcohol, or derivatives
  • Cholestane-skeleton
  • 25-hydroxysteroid
  • 24-hydroxysteroid
  • 3-hydroxysteroid
  • 12-hydroxysteroid
  • 7-hydroxysteroid
  • 3-alpha-hydroxysteroid
  • Hydroxysteroid
  • Fatty alcohol
  • Fatty acyl
  • Cyclic alcohol
  • Secondary alcohol
  • Polyol
  • Primary alcohol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Alcohol
  • Organooxygen compound
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Process
Role
Physical Properties
StateSolid
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 Solubility0.25 g/LALOGPS
logP1.89ALOGPS
logP1.11ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)13.34ChemAxon
pKa (Strongest Basic)-0.16ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area121.38 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity122.98 m³·mol⁻¹ChemAxon
Polarizability52.9 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
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]+206.15431661259
DarkChem[M-H]-198.5131661259
DeepCCS[M-2H]-242.23530932474
DeepCCS[M+Na]+216.25330932474
AllCCS[M+H]+214.932859911
AllCCS[M+H-H2O]+213.232859911
AllCCS[M+NH4]+216.532859911
AllCCS[M+Na]+216.932859911
AllCCS[M-H]-209.932859911
AllCCS[M+Na-2H]-212.032859911
AllCCS[M+HCOO]-214.532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
27-Norcholestanehexol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO3249.1Standard polar33892256
27-Norcholestanehexol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO3768.0Standard non polar33892256
27-Norcholestanehexol[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)C(O)CO4161.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
27-Norcholestanehexol,1TMS,isomer #1C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3765.8Semi standard non polar33892256
27-Norcholestanehexol,1TMS,isomer #2C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3852.7Semi standard non polar33892256
27-Norcholestanehexol,1TMS,isomer #3C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3823.2Semi standard non polar33892256
27-Norcholestanehexol,1TMS,isomer #4C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3862.6Semi standard non polar33892256
27-Norcholestanehexol,1TMS,isomer #5C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3857.6Semi standard non polar33892256
27-Norcholestanehexol,1TMS,isomer #6C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3844.7Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #1C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3710.9Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #10C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3761.5Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #11C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3747.1Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #12C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3737.1Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #13C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3815.3Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #14C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3833.5Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #15C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3820.6Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #2C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3707.0Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #3C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3678.4Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #4C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3707.2Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #5C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3703.7Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #6C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3803.4Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #7C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3803.5Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #8C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3786.7Semi standard non polar33892256
27-Norcholestanehexol,2TMS,isomer #9C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3738.4Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #1C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3657.9Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #10C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3666.4Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #11C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3723.6Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #12C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3745.0Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #13C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3676.9Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #14C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3732.1Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #15C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3669.0Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #16C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3646.9Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #17C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3700.1Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #18C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3713.3Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #19C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3706.1Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #2C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3660.5Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #20C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3801.7Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #3C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3659.3Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #4C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3660.8Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #5C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3652.1Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #6C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3647.3Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #7C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3657.2Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #8C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3622.4Semi standard non polar33892256
27-Norcholestanehexol,3TMS,isomer #9C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3624.4Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #1C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3635.1Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #10C[C@H](CCC(O)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3581.1Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #11C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3689.8Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #12C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3607.2Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #13C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3613.0Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #14C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3602.6Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #15C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O3675.5Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #2C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3605.6Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #3C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3606.9Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #4C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3615.9Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #5C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3616.9Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #6C[C@H](CCC(O[Si](C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3615.2Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #7C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3600.7Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #8C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3598.0Semi standard non polar33892256
27-Norcholestanehexol,4TMS,isomer #9C[C@H](CCC(O)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3597.9Semi standard non polar33892256
27-Norcholestanehexol,5TMS,isomer #1C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C3624.4Semi standard non polar33892256
27-Norcholestanehexol,5TMS,isomer #2C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3597.8Semi standard non polar33892256
27-Norcholestanehexol,5TMS,isomer #3C[C@H](CCC(O[Si](C)(C)C)C(CO)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3589.6Semi standard non polar33892256
27-Norcholestanehexol,5TMS,isomer #4C[C@H](CCC(O[Si](C)(C)C)C(O)CO[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3584.8Semi standard non polar33892256
27-Norcholestanehexol,5TMS,isomer #5C[C@H](CCC(O)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3575.0Semi standard non polar33892256
27-Norcholestanehexol,5TMS,isomer #6C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O3598.3Semi standard non polar33892256
27-Norcholestanehexol,6TMS,isomer #1C[C@H](CCC(O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C3593.6Semi standard non polar33892256
27-Norcholestanehexol,1TBDMS,isomer #1C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C3969.6Semi standard non polar33892256
27-Norcholestanehexol,1TBDMS,isomer #2C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4052.7Semi standard non polar33892256
27-Norcholestanehexol,1TBDMS,isomer #3C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4025.7Semi standard non polar33892256
27-Norcholestanehexol,1TBDMS,isomer #4C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4086.9Semi standard non polar33892256
27-Norcholestanehexol,1TBDMS,isomer #5C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4077.5Semi standard non polar33892256
27-Norcholestanehexol,1TBDMS,isomer #6C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4068.6Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #1C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4147.0Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #10C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4200.7Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #11C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4183.8Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #12C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4178.7Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #13C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4271.8Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #14C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4279.0Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #15C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4274.4Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #2C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4136.2Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #3C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4115.1Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #4C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4137.5Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #5C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4132.9Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #6C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4253.7Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #7C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4257.1Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #8C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4237.4Semi standard non polar33892256
27-Norcholestanehexol,2TBDMS,isomer #9C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4163.9Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #1C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4318.1Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #10C[C@H](CCC(O)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4307.4Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #11C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4416.4Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #12C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4434.9Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #13C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4336.4Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #14C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4422.2Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #15C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4328.9Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #16C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O4314.7Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #17C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4374.4Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #18C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4382.9Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #19C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4378.5Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #2C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4319.6Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #20C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O4487.5Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #3C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4301.5Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #4C[C@H](CCC(O[Si](C)(C)C(C)(C)C)C(O)CO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4303.3Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #5C[C@H](CCC(O)C(CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4318.0Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #6C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4283.5Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #7C[C@H](CCC(O)C(CO)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4299.2Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #8C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O[Si](C)(C)C(C)(C)C)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4273.8Semi standard non polar33892256
27-Norcholestanehexol,3TBDMS,isomer #9C[C@H](CCC(O)C(O)CO[Si](C)(C)C(C)(C)C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C[C@H]3O[Si](C)(C)C(C)(C)C4278.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 27-Norcholestanehexol GC-MS (Non-derivatized) - 70eV, Positivesplash10-01p9-2124900000-14018050ce59e67967d72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 27-Norcholestanehexol GC-MS (3 TMS) - 70eV, Positivesplash10-0a4i-1120319000-57cb43ec7e0bc74639b02017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 27-Norcholestanehexol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 10V, Positive-QTOFsplash10-014r-0000900000-d07f780a7821e7cd45f92017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 20V, Positive-QTOFsplash10-014j-0005900000-2621b8add99bbfc0b5e62017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 40V, Positive-QTOFsplash10-05pk-3009600000-5f4bb22eb23261a4c8c02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 10V, Negative-QTOFsplash10-0udr-0000900000-f0ec52901e59c9e5bf2b2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 20V, Negative-QTOFsplash10-0k9i-2003900000-f2301fc8e820d3d94b7f2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 40V, Negative-QTOFsplash10-0ab9-9001300000-8bfdce7dff75bcd3e9a02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 10V, Positive-QTOFsplash10-0670-0002900000-17e1dcbd7d3ce37729482021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 20V, Positive-QTOFsplash10-014i-1133900000-42864b75aab1e620c26c2021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 40V, Positive-QTOFsplash10-0a6s-9660000000-d13aacb99874205630902021-09-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 10V, Negative-QTOFsplash10-0udi-0000900000-de45f5a90e17f4a381dc2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 20V, Negative-QTOFsplash10-0a4i-9002400000-2daa54976af92b47448f2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 27-Norcholestanehexol 40V, Negative-QTOFsplash10-0udi-3104900000-c54d383bc0f14135e8612021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
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 IDFDB022873
KNApSAcK IDNot Available
Chemspider ID170096
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound196302
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. Nakagawa M, Une M, Takenaka S, Tazawa Y, Nozaki S, Imanaka T, Kuramoto T: Urinary bile alcohol profiles in healthy and cholestatic children. Clin Chim Acta. 2001 Dec;314(1-2):101-6. [PubMed:11718684 ]
  2. Karlaganis G, Karlaganis V, Sjovall J: Identification of 27-nor-5 beta-cholestane-3 alpha,7 alpha,12 alpha,24 xi, 25 xi,26-hexol and partial characterization of the bile alcohol profile in urine. J Lipid Res. 1984 Jul;25(7):693-702. [PubMed:6548247 ]