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Substance Name: Etiocholanic acid methyl ester
RN: 88929-08-2
UNII: 8A5WR4PE3K
InChIKey: UYRKOPHGLDACOQ-WPWXJNKXSA-N

Molecular Formula

  • C21-H34-O2

Molecular Weight

  • 318.4976
 
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Names and Synonyms

Name of Substance

  • Etiocholanic acid methyl ester

Synonyms

  • 5beta-Androstane-17beta-carboxylic acid, methyl ester
  • Etiocholanic acid methyl ester
  • Etiocholanic acid methyl ester [MI]
  • UNII-8A5WR4PE3K

Registry Numbers

CAS Registry Number

  • 88929-08-2

FDA UNII

  • 8A5WR4PE3K

System Generated Number

  • 0088929082

Structure Descriptors

InChI

1S/C21H34O2/c1-20-12-5-4-6-14(20)7-8-15-16-9-10-18(19(22)23-3)21(16,2)13-11-17(15)20/h14-18H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,20-,21-/m0/s1

InChIKey

UYRKOPHGLDACOQ-WPWXJNKXSA-N

Smiles

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