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Substance Name: Norursocholic acid
RN: 139265-35-3
InChIKey: UJNJKJCBHLCOMS-QTOAEDRXSA-N

Molecular Formula

  • C23-H38-O5

Molecular Weight

  • 394.548
 
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Names and Synonyms

Name of Substance

  • Norursocholic acid

Synonym

  • 3-(3alpha,7beta,12alpha-Trihydroxy-5beta,17beta-androstan-17-yl)butanoic acid

Systematic Name

  • 24-Norcholan-23-oic acid, 3,7,12-trihydroxy-, (3alpha,5beta,7beta,12alpha)-

Registry Numbers

CAS Registry Number

  • 139265-35-3

System Generated Number

  • 0139265353

Structure Descriptors

InChI

1S/C23H38O5/c1-13(10-20(25)26)16-6-7-17-15-5-4-14-11-23(27,28)19(24)12-22(14,3)18(15)8-9-21(16,17)2/h13-19,24,27-28H,4-12H2,1-3H3,(H,25,26)/t13-,14-,15?,16-,17?,18?,19?,21-,22+/m1/s1

InChIKey

UJNJKJCBHLCOMS-QTOAEDRXSA-N

Smiles

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