3α,4β,7α-Trihydroxy-5β-cholanoic acid
CAS Registry Number®
117590-81-5
CAS Name
3α,4β,7α-Trihydroxy-5β-cholanoic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite this Page
3α,4β,7α-Trihydroxy-5β-cholanoic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=117590-81-5 (retrieved ) (CAS RN: 117590-81-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O5/c1-13(4-7-20(27)28)14-5-6-15-21-16(8-10-23(14,15)2)24(3)11-9-18(25)22(29)17(24)12-19(21)26/h13-19,21-22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14-,15+,16+,17-,18-,19-,21+,22-,23-,24-/m1/s1
InChIKey
InChIKey=AIHWGPJJINPTRP-GYNBETSRSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1([C@@H](O)[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4C(O)C(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,4,7-trihydroxy-, (3α,4β,5β,7α)-
- (3α,4β,5β,7α)-3,4,7-Trihydroxycholan-24-oic acid
- 3α,4β,7α-Trihydroxy-5β-cholanoic acid
- 3α,4β,7α-Trihydroxy-5β-cholan-24-oic acid