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Substance Name: 16beta-Bromo-3beta,17alpha-dihydroxy-5alpha-pregnane-11,20-dione
RN: 1780-98-9
InChIKey: JROPAJOQOJBRHP-HTMMRMGMSA-N

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C21-H31-Br-O4

Molecular Weight

  • 427.3759
 
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Names and Synonyms

Name of Substance

  • 16beta-Bromo-3beta,17alpha-dihydroxy-5alpha-pregnane-11,20-dione

Synonyms

  • 16-beta-Bromo-3-beta,17-alpha-dihydroxy-5-alpha-pregnane-11,20-dione
  • 16beta-Bromo-3beta,17alpha-dihydroxy-5alpha-pregnane-11,20-dione

Systematic Name

  • 5-alpha-Pregnane-11,20-dione, 16-beta-bromo-3-beta,17-alpha-dihydroxy-

Registry Numbers

CAS Registry Number

  • 1780-98-9

System Generated Number

  • 0001780989

Structure Descriptors

InChI

1S/C21H31BrO4/c1-11(23)21(26)17(22)9-15-14-5-4-12-8-13(24)6-7-19(12,2)18(14)16(25)10-20(15,21)3/h12-15,17-18,24,26H,4-10H2,1-3H3/t12-,13-,14-,15-,17-,18+,19-,20-,21+/m0/s1

InChIKey

JROPAJOQOJBRHP-HTMMRMGMSA-N

Smiles

CC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C)Br)O