Methyl deoxycholate
CAS Registry Number®
3245-38-3
No image available.
CAS Name
Methyl deoxycholateMolecular Formula
C25H42O4Molecular Mass
406.60Cite this Page
Methyl deoxycholate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=3245-38-3 (retrieved ) (CAS RN: 3245-38-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
92-93 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H42O4/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/h15-22,26-27H,5-14H2,1-4H3/t15-,16-,17-,18+,19-,20+,21+,22+,24+,25-/m1/s1
InChIKey
InChIKey=ZHUOOEGSSFNTNP-JMKDMENQSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](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, 3,12-dihydroxy-, methyl ester, (3α,5β,12α)-
- 5β-Cholan-24-oic acid, 3α,12α-dihydroxy-, methyl ester
- Deoxycholic acid, methyl ester
- Desoxycholic acid, methyl ester
- Methyl 3α,12α-dihydroxy-5β-cholanoate
