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Substance Name: Diendiol
RN: 3494-53-9
InChIKey: SBMHTRUNPKWTLU-PKJGFKEFSA-N

Molecular Formula

  • C21-H30-O3

Molecular Weight

  • 330.465
 
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Names and Synonyms

Name of Substance

  • Diendiol

Synonym

  • EINECS 222-489-1

Systematic Names

  • 11-beta,21-Dihydroxypregna-4,17(20)-dien-3-one
  • Pregna-4,17(20)-dien-3-one, 11,21-dihydroxy-, (11beta)-

Registry Numbers

CAS Registry Number

  • 3494-53-9

System Generated Number

  • 0003494539

Structure Descriptors

InChI

1S/C21H30O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h8,11,16-19,22,24H,3-7,9-10,12H2,1-2H3/b13-8-/t16-,17-,18-,19+,20-,21+/m0/s1

InChIKey

SBMHTRUNPKWTLU-PKJGFKEFSA-N

Smiles

C=12[C@@](CCC(C1)=O)(C)[C@H]1[C@H](C[C@@]\3([C@H](CCC3=C/CO)[C@@H]1CC2)C)O