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Substance Name: Cholan-24-oic acid, 12-hydroxy-3-oxo-, (5beta,12beta)-
RN: 136892-43-8
InChIKey: WMUMZOAFCDOTRW-RXTDITKTSA-N

Molecular Formula

  • C24-H38-O4

Molecular Weight

  • 390.5602
 
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Names and Synonyms

Synonym

  • CCRIS 3995

Systematic Names

  • 12beta-Hydroxy-3-oxo-5beta-cholanoic acid
  • Cholan-24-oic acid, 12-hydroxy-3-oxo-, (5beta,12beta)-

Registry Numbers

CAS Registry Number

  • 136892-43-8

System Generated Number

  • 0136892438

Structure Descriptors

InChI

1S/C24H38O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-15,17-21,26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,17+,18-,19+,20+,21-,23+,24-/m1/s1

InChIKey

WMUMZOAFCDOTRW-RXTDITKTSA-N

Smiles

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C