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Substance Name: 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid
RN: 2681-56-3
InChIKey: IOLANHYQSJTGAC-WGKOQXAXSA-N

Molecular Weight

  • 346.464
 
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Names and Synonyms

Name of Substance

  • 20-Hydroxy-3-oxo-4-pregnen-21-carboxylic acid

Synonyms

  • 20-Hydroxy-3-keto-4-pregnen-21-oic acid
  • 20-R-Hydroxy-3-oxo-4-pregnen-21-oic acid
  • Pregnolic acid

Systematic Name

  • Pregn-4-en-21-oic acid, 20-hydroxy-3-oxo-, (20R)-

Registry Numbers

CAS Registry Number

  • 2681-56-3

System Generated Number

  • 0002681563

Structure Descriptors

InChI

1S/C21H30O4/c1-20-9-7-13(22)11-12(20)3-4-14-15-5-6-17(18(23)19(24)25)21(15,2)10-8-16(14)20/h11,14-18,23H,3-10H2,1-2H3,(H,24,25)/t14-,15-,16-,17+,18+,20-,21-/m0/s1

InChIKey

IOLANHYQSJTGAC-WGKOQXAXSA-N

Smiles

C1(CC[C@@]2([C@H]3CC[C@@]4([C@@H]([C@H](C(=O)O)O)CC[C@@H]4[C@@H]3CCC2=C1)C)C)=O