(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid
CAS Registry Number®
14959-83-2
CAS Name
(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite this Page
(3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=14959-83-2 (retrieved ) (CAS RN: 14959-83-2). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
273-275 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H40O5/c1-13(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19-,20+,22-,23-,24+/m0/s1
InChIKey
InChIKey=IPSHXEXQGICLQN-KLRYQPFDSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](C[C@H]3O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H]([C@H](CC(O)=O)O)C)[H])[H]
Canonical SMILES
O=C(O)CC(O)C(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7,22-trihydroxy-, (3α,5β,7α,22S)-
- 5β-Cholan-24-oic acid, 3α,7α,22β-trihydroxy-
- (3α,5β,7α,22S)-3,7,22-Trihydroxycholan-24-oic acid
- Haemulcholic acid
Deleted or Replaced CAS Registry Numbers
11029-67-7