Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate
CAS Registry Number®
10538-59-7
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CAS Name
Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oateMolecular Formula
C25H40O4Molecular Mass
404.58Cite this Page
Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=10538-59-7 (retrieved ) (CAS RN: 10538-59-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
103-104 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H40O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-20,23,26H,5-14H2,1-4H3/t15-,16+,17-,18-,19+,20+,23+,24+,25-/m1/s1
InChIKey
InChIKey=FNBYYFMYNRYPPC-YLOOLPOOSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3=O)(C[C@H](O)CC4)[H])(CC1)[H])[H])(CC[C@@]2([C@@H](CCC(OC)=O)C)[H])[H]
Canonical SMILES
O=C(OC)CCC(C)C1CCC2C3C(=O)CC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3-hydroxy-7-oxo-, methyl ester, (3α,5β)-
- 5β-Cholanic acid, 3α-hydroxy-7-oxo-, methyl ester
- 5β-Cholan-24-oic acid, 3α-hydroxy-7-oxo-, methyl ester
- Methyl (3α,5β)-3-hydroxy-7-oxocholan-24-oate
- Methyl 7-keto-3α-hydroxy-5β-cholanoate
