(3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid

CAS Registry Number®

863-39-8

CAS Name

(3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid

Molecular Formula

C28H48O5

Molecular Mass

464.68

Cite this Page

(3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=863-39-8 (retrieved 2024-12-23) (CAS RN: 863-39-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H48O5/c1-16(2)7-6-8-17(3)19-9-10-20-24-21(13-23(31)27(19,20)5)26(4)12-11-18(29)14-28(26,25(32)33)15-22(24)30/h16-24,29-31H,6-15H2,1-5H3,(H,32,33)/t17-,18-,19-,20+,21+,22-,23+,24+,26-,27-,28+/m1/s1

InChIKey

InChIKey=JIFNDZCDNLFAKC-YAODFNMUSA-N

SMILES

C[C@]12[C@](C(O)=O)(C[C@@H](O)[C@@]3([C@@]1(C[C@H](O)[C@@]4(C)[C@]3(CC[C@@]4([C@@H](CCCC(C)C)C)[H])[H])[H])[H])C[C@H](O)CC2

Canonical SMILES

O=C(O)C12CC(O)CCC2(C)C3CC(O)C4(C)C(CCC4C3C(O)C1)C(C)CCCC(C)C

Other Names for this Substance

  • Cholestane-5-carboxylic acid, 3,7,12-trihydroxy-, (3α,5β,7α,12α)-
  • (3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid
  • (3α,5β,7α,12α)-3,7,12-Trihydroxy-cholestane-5-carboxylic acid

CAS INSIGHTSTM
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