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Substance Name: 6,7-Epoxycanrenone
RN: 114577-01-4
InChIKey: FSIPNQUJIAOSNJ-VRQGMAQHSA-N

Note

  • Metabolite of canrenone; exists in urine and plasma.

Classification Code

  • Mutation Data

Molecular Formula

  • C22-H28-O4

Molecular Weight

  • 356.459
 
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Names and Synonyms

Name of Substance

  • 6,7-Epoxycanrenone

Synonyms

  • 6-alpha,7-alpha-Epoxy-17-alpha-hydroxy-3-oxopregn-4-ene-21-carboxylic acid gamma-lactone
  • 6-alpha,7-alpha-Epoxy-canrenone
  • BRN 5136576

Systematic Name

  • Pregn-4-ene-21-carboxylic acid, 6,7-epoxy-17-hydroxy-3-oxo, gamma-lactone, (6-alpha,7-alpha,17-alpha)-

Registry Numbers

CAS Registry Number

  • 114577-01-4

System Generated Number

  • 0114577014

Structure Descriptors

InChI

1S/C22H28O4/c1-20-7-3-12(23)11-15(20)18-19(25-18)17-13(20)4-8-21(2)14(17)5-9-22(21)10-6-16(24)26-22/h11,13-14,17-19H,3-10H2,1-2H3/t13-,14-,17+,18+,19-,20+,21-,22+/m0/s1

InChIKey

FSIPNQUJIAOSNJ-VRQGMAQHSA-N

Smiles

O1C(CC[C@]21CC[C@H]1[C@@H]3[C@H]4[C@H](C=5[C@]([C@H]3CC[C@@]21C)(C)CCC(C5)=O)O4)=O