1β,3α,7α-Trihydroxy-5β-cholan-24-oic acid
CAS Registry Number®
99598-04-6
CAS Name
1β,3α,7α-Trihydroxy-5β-cholan-24-oic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite this Page
1β,3α,7α-Trihydroxy-5β-cholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=99598-04-6 (retrieved ) (CAS RN: 99598-04-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(8-9-23(16,17)2)24(3)14(11-19(22)26)10-15(25)12-20(24)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15+,16-,17+,18+,19-,20-,22+,23-,24+/m1/s1
InChIKey
InChIKey=GYUVAHWOVINGNE-RWXZXXAWSA-N
SMILES
O[C@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)(C[C@H](O)C[C@H]3O)[H])(CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CC(O)C4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 1,3,7-trihydroxy-, (1β,3α,5β,7α)-
- (1β,3α,5β,7α)-1,3,7-Trihydroxycholan-24-oic acid
- 1β-Hydroxychenodeoxycholic acid
- 1β,3α,7α-Trihydroxy-5β-cholanoic acid
- 1β,3α,7α-Trihydroxy-5β-cholan-24-oic acid
