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Substance Name: 4-Pregnene-3,20-dione-21-oic acid
RN: 2681-57-4
InChIKey: LWKCHEXQYCMNME-GQDVPIKJSA-N

Molecular Formula

  • C21-H28-O4

Molecular Weight

  • 344.448
 
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Names and Synonyms

Name of Substance

  • 4-Pregnene-3,20-dione-21-oic acid

Synonym

  • Pregnenoic acid

Systematic Name

  • Pregn-4-en-21-oic acid, 3,20-dioxo-

Registry Numbers

CAS Registry Number

  • 2681-57-4

System Generated Number

  • 0002681574

Structure Descriptors

InChI

1S/C21H28O4/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/h11,14-17H,3-10H2,1-2H3,(H,24,25)/t14-,15-,16-,17+,20-,21-/m0/s1

InChIKey

LWKCHEXQYCMNME-GQDVPIKJSA-N

Smiles

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