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Substance Name: 5-Bromo-3,6-dihydroxyandrostan-17-one-3-acetate
RN: 4229-69-0
InChIKey: LWPBJOOGFJSAQQ-FWFZCRFUSA-N

Molecular Formula

  • C21-H31-Br-O4

Molecular Weight

  • 427.3759
 
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Names and Synonyms

Name of Substance

  • 5-Bromo-3,6-dihydroxyandrostan-17-one-3-acetate

Synonyms

  • 5-Bromo-3beta,6beta-dihydroxy-5alpha-androstan-17-one-3-acetate
  • EC 419-790-7

Systematic Names

  • (3 beta, 5 alpha, 6beta)-3-(Acetyloxy)-5-bromo-6-hydroxy-androstan-17-one
  • Androstan-17-one, 3-(acetyloxy)-5-bromo-6-hydroxy-, (3beta,5alpha,6beta)-

Registry Numbers

CAS Registry Number

  • 4229-69-0

System Generated Number

  • 0004229690

Structure Descriptors

InChI

1S/C21H31BrO4/c1-12(23)26-13-6-9-20(3)16-7-8-19(2)15(4-5-17(19)24)14(16)10-18(25)21(20,22)11-13/h13-16,18,25H,4-11H2,1-3H3/t13-,14-,15-,16-,18+,19-,20+,21-/m0/s1

InChIKey

LWPBJOOGFJSAQQ-FWFZCRFUSA-N

Smiles

CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C[C@H]([C@]2(C1)Br)O)CCC4=O)C)C