(3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acid
CAS Registry Number®
863-39-8
No image available.
CAS Name
(3α,5β,7α,12α)-3,7,12-Trihydroxycholestane-5-carboxylic acidMolecular Formula
C28H48O5Molecular Mass
464.68Cite 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 ) (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
