Methyl lithocholate
CAS Registry Number®
1249-75-8
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CAS Name
Methyl lithocholateMolecular Formula
C25H42O3Molecular Mass
390.60Cite this Page
Methyl lithocholate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=1249-75-8 (retrieved ) (CAS RN: 1249-75-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
125-126 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C25H42O3/c1-16(5-10-23(27)28-4)20-8-9-21-19-7-6-17-15-18(26)11-13-24(17,2)22(19)12-14-25(20,21)3/h16-22,26H,5-15H2,1-4H3/t16-,17-,18-,19+,20-,21+,22+,24+,25-/m1/s1
InChIKey
InChIKey=YXZVCZUDUJEPPK-ULCLHEGSSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(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)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3-hydroxy-, methyl ester, (3α,5β)-
- 5β-Cholan-24-oic acid, 3α-hydroxy-, methyl ester
- 5β-Cholanic acid, 3α-hydroxy-, methyl ester
- Lithocholic acid methyl ester
- Methyl 3α-hydroxy-5β-cholanoate
Deleted or Replaced CAS Registry Numbers
22574-28-3