1β-Hydroxydeoxycholic acid
CAS Registry Number®
80434-32-8
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CAS Name
1β-Hydroxydeoxycholic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite this Page
1β-Hydroxydeoxycholic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=80434-32-8 (retrieved ) (CAS RN: 80434-32-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1
InChIKey
InChIKey=DAKYVYUAVGJDRK-FPUZENINSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(CC[C@@]1(C[C@H](O)C[C@H]2O)[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CC(O)C4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 1,3,12-trihydroxy-, (1β,3α,5β,12α)-
- (1β,3α,5β,12α)-1,3,12-Trihydroxycholan-24-oic acid
- 1β,3α,12α-Trihydroxy-5β-cholan-24-oic acid
- 1β-Hydroxydeoxycholic acid
- 1β,3α,12α-Trihydroxy-5β-cholanoic acid
Deleted or Replaced CAS Registry Numbers
117997-13-4
