Methyl lithocholate

CAS Registry Number®

1249-75-8

CAS Name

Methyl lithocholate

Molecular Formula

C25H42O3

Molecular Mass

390.60

Cite 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 2024-11-22) (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

View All

Deleted or Replaced CAS Registry Numbers

22574-28-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration