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Substance Name: Methyl lithocholate
RN: 1249-75-8
InChIKey: YXZVCZUDUJEPPK-ULCLHEGSSA-N

Molecular Formula

  • C25-H42-O3

Molecular Weight

  • 390.604
 
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Names and Synonyms

Name of Substance

  • Methyl lithocholate

Synonyms

  • EINECS 215-002-9
  • Methyl 3alpha-hydroxy-5beta-cholan-24-oate
  • Methyl lithocholate
  • NSC 63558
  • NSC 8116

Systematic Names

  • 5beta-Cholan-24-oic acid, 3alpha-hydroxy-, methyl ester (8CI)
  • Cholan-24-oic acid, 3-hydroxy-, methyl ester, (3alpha,5beta)- (9CI)
  • Methyl lithocholate

Registry Numbers

CAS Registry Number

  • 1249-75-8

System Generated Number

  • 0001249758

Structure Descriptors

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

YXZVCZUDUJEPPK-ULCLHEGSSA-N

Smiles

C1[C@@]2([C@H](CC[C@H]2[C@@H]2CC[C@H]3[C@@](CC[C@H](O)C3)(C)[C@@H]2C1)[C@@H](CCC(=O)OC)C)C