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Substance Name: Etiocholenic acid
RN: 10325-79-8
InChIKey: MGMOLZNAUACBCR-WQBJWTDHSA-N

Molecular Formula

  • C20-H30-O3

Molecular Weight

  • 318.454
 
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Names and Synonyms

Name of Substance

  • Etiocholenic acid

Synonym

  • NSC 119154

Systematic Names

  • 3-Hydroxy-5-androstene-17-carboxylic acid
  • Androst-5-ene-17-carboxylic acid, 3-hydroxy-, (3beta,17beta)- (9CI)

Registry Numbers

CAS Registry Number

  • 10325-79-8

System Generated Number

  • 0010325798

Structure Descriptors

InChI

1S/C20H30O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h3,13-17,21H,4-11H2,1-2H3,(H,22,23)/t13-,14-,15-,16-,17+,19-,20-/m0/s1

InChIKey

MGMOLZNAUACBCR-WQBJWTDHSA-N

Smiles

C=12C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3([C@H]([C@@H]2CC1)CC[C@@H]3C(=O)O)C