Methyl (3α,5β,7α)-3,7-dihydroxy-12-oxocholan-24-oate
CAS Registry Number®
10538-64-4
CAS Name
Methyl (3α,5β,7α)-3,7-dihydroxy-12-oxocholan-24-oateMolecular Formula
C25H40O5Molecular Mass
420.58Cite this Page
Methyl (3α,5β,7α)-3,7-dihydroxy-12-oxocholan-24-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=10538-64-4 (retrieved ) (CAS RN: 10538-64-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
158-160 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-20,23,26-27H,5-13H2,1-4H3/t14-,15+,16-,17-,18+,19+,20-,23+,24+,25-/m1/s1
InChIKey
InChIKey=LGWDBNNCYKGKFM-DFAIRORGSA-N
SMILES
O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(OC)=O)C)(CC3)[H])C(=O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, methyl ester, (3α,5β,7α)-
- 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester
- 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-, methyl ester
- Methyl (3α,5β,7α)-3,7-dihydroxy-12-oxocholan-24-oate
- Methyl 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oate
