(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid
CAS Registry Number®
129012-50-6
CAS Name
(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite this Page
(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=129012-50-6 (retrieved ) (CAS RN: 129012-50-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
151-152 °C
Source(s)
- (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.
Other Names and Identifiers
InChI
InChI=1S/C24H40O5/c1-13(4-9-21(27)28)15-7-8-16-14-5-6-17-22(29)19(25)10-11-23(17,2)18(14)12-20(26)24(15,16)3/h13-20,22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14+,15-,16+,17-,18+,19-,20+,22-,23+,24-/m1/s1
InChIKey
InChIKey=FRYVQXCDSBCDAU-AKDOOQIZSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)([C@@H](O)[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4C(O)C(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,4,12-trihydroxy-, (3α,4β,5β,12α)-
- (3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid