(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid
CAS Registry Number®
10573-17-8
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CAS Name
(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acidMolecular Formula
C24H38O4Molecular Mass
390.56Cite this Page
(3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=10573-17-8 (retrieved ) (CAS RN: 10573-17-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
189-190 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C24H38O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-20,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20-,23-,24-/m1/s1
InChIKey
InChIKey=JWZBXKZZDYMDCJ-NYGMMZBPSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])(CC(=O)[C@]1(C[C@H](O)CC2)[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3-hydroxy-6-oxo-, (3α,5α)-
- 5α-Cholan-24-oic acid, 3α-hydroxy-6-oxo-
- 5α-Cholanic acid, 3α-hydroxy-6-oxo-
- (3α,5α)-3-Hydroxy-6-oxocholan-24-oic acid
- 3α-Hydroxy-6-oxo-5α-cholanoic acid
