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Substance Name: 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione
RN: 79683-94-6
InChIKey: SCRZLRQVKYXYFZ-SAKMYQHLSA-N

Note

  • Accumulated by Pseudomonas mutant strains from bile acids.

Molecular Formula

  • C19-H24-O4

Molecular Weight

  • 316.3946
 
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Names and Synonyms

Name of Substance

  • 3,12-Dihydroxy-9(10)-secoandrosta-1,3,5(10)-triene-9,17-dione

Synonyms

  • 12-Hydroxysecophenol
  • 3,12-Dsatd
  • Hexahydro-7-hydroxy-4-(2-(5-hydroxy-2-methylphenyl)ethyl)-7a-methyl-1H-indene-1,5(4H)-dione (3aS-(3aalpha,4alpha,7beta,7abeta))-

Systematic Name

  • 1H-Indene-1,5(4H)-dione, hexahydro-7-hydroxy-4-(2-(5-hydroxy-2-methylphenyl)ethyl)-7a-methyl-, (3aS-(3aalpha,4alpha,7beta,7abeta))-

Registry Numbers

CAS Registry Number

  • 79683-94-6

System Generated Number

  • 0079683946

Structure Descriptors

InChI

1S/C19H24O4/c1-11-3-5-13(20)9-12(11)4-6-14-15-7-8-17(22)19(15,2)18(23)10-16(14)21/h3,5,9,14-15,18,20,23H,4,6-8,10H2,1-2H3/t14-,15-,18+,19-/m0/s1

InChIKey

SCRZLRQVKYXYFZ-SAKMYQHLSA-N

Smiles

Cc1ccc(cc1CC[C@H]2[C@@H]3CCC(=O)[C@]3([C@@H](CC2=O)O)C)O