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7α-Hydroxycholesterol

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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 16:31, 28 November 2010 (Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 16:31, 28 November 2010 by Beetstra (talk | contribs) (Script assisted update of identifiers from ChemSpider, CommonChemistry and FDA for the Chem/Drugbox validation project - Updated: InChI1->InChI StdInChI StdInChIKey.)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
7-α-Hydroxycholesterol
Names
IUPAC name (3S,7S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17--2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopentaphenanthrene-3,7-diol
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
MeSH 7+alpha-hydroxycholesterol
PubChem CID
CompTox Dashboard (EPA)
InChI
  • InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1Key: OYXZMSRRJOYLLO-RVOWOUOISA-N
  • InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3/t18-,20+,21-,22+,23+,24-,25+,26+,27-/m1/s1Key: OYXZMSRRJOYLLO-RVOWOUOIBF
SMILES
  • CC(C)CCC(C)1CC21(CC32(C=C43(CC(C4)O)C)O)C
  • O4C/C3=C/(O)1(CC2(1CC2(C)CCCC(C)C)C)3(C)CC4
Properties
Chemical formula C27H46O2
Molar mass 402.653 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). Infobox references
Chemical compound

7-α-Hydroxycholesterol is a precursor of bile acids, created by cholesterol 7 alpha-hydroxylase. It is the rate-determining step.


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