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Substance Name: 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione
RN: 70608-75-2
InChIKey: BWQVWSWLOMBYLM-USYVIYLSSA-N

Note

  • Major metabolite from microbial degradation of cholic acid.

Molecular Weight

  • 316.395
 
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Names and Synonyms

Name of Substance

  • 7,12-Dihydroxyandrosta-1,4-diene-3,17-dione

Synonym

  • 7alpha,12beta-Dihydroxyandrosta-1,4-diene-3,17-dione

Systematic Name

  • (7alpha,12beta)-7,12-Dihydroxyandrosta-1,4-diene-3,17-dione

Registry Numbers

CAS Registry Number

  • 70608-75-2

System Generated Number

  • 0070608752

Structure Descriptors

InChI

1S/C19H24O4/c1-18-6-5-11(20)7-10(18)8-14(21)17-12-3-4-15(22)19(12,2)16(23)9-13(17)18/h5-7,12-14,16-17,21,23H,3-4,8-9H2,1-2H3/t12-,13-,14+,16+,17-,18-,19-/m0/s1

InChIKey

BWQVWSWLOMBYLM-USYVIYLSSA-N

Smiles

C1(C=C[C@@]2([C@H]3C[C@H]([C@@]4(C(CC[C@@H]4[C@@H]3[C@@H](CC2=C1)O)=O)C)O)C)=O