Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
CAS Registry Number®
10538-58-6
CAS Name
Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oateMolecular Formula
C25H40O4Molecular Mass
404.58Cite this Page
Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=10538-58-6 (retrieved ) (CAS RN: 10538-58-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
145 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H40O4/c1-15(5-10-23(28)29-4)19-8-9-20-18-7-6-16-13-17(26)11-12-24(16,2)21(18)14-22(27)25(19,20)3/h15-16,18-22,27H,5-14H2,1-4H3/t15-,16-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChIKey
InChIKey=LOJPGRHPJBGMMF-CNZSLQMUSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(CC(=O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 12-hydroxy-3-oxo-, methyl ester, (5β,12α)-
- 5β-Cholan-24-oic acid, 12α-hydroxy-3-oxo-, methyl ester
- 5β-Cholanic acid, 12α-hydroxy-3-oxo-, methyl ester
- Methyl (5β,12α)-12-hydroxy-3-oxocholan-24-oate
- Methyl-3-keto-12α-hydroxy-5β-cholanoate
