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Substance Name: 5alpha-Pregnan-20-one, 5-bromo-6beta,19-epoxy-3beta-hydroxy-
RN: 5563-20-2
InChIKey: VTKXNWSYXAOCHU-VLWKOFFBSA-N

Molecular Formula

  • C21-H31-Br-O3

Molecular Weight

  • 411.3769
 
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Names and Synonyms

Synonym

  • NSC 86069

Systematic Name

  • 5alpha-Pregnan-20-one, 5-bromo-6beta,19-epoxy-3beta-hydroxy-

Registry Numbers

CAS Registry Number

  • 5563-20-2

System Generated Number

  • 0005563202

Structure Descriptors

InChI

1S/C21H31BrO3/c1-12(23)15-3-4-16-14-9-18-21(22)10-13(24)5-8-20(21,11-25-18)17(14)6-7-19(15,16)2/h13-18,24H,3-11H2,1-2H3/t13-,14-,15+,16-,17-,18+,19+,20-,21-/m0/s1

InChIKey

VTKXNWSYXAOCHU-VLWKOFFBSA-N

Smiles

CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CC[C@H](O)C[C@]45Br)[C@H]3CC[C@]12C