16α-Bromo-3Beta-Hydroxy-5α-Androstan-17-One

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Properties Simple | Detailed

Formula C19H29BrO2
IUPAC Name (3s,5s,8r,9s,10s,13s,14s,16r)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 369.336 g·mol−1
Heat of Formation -551.3 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 406.52 Å 3
Surface Area 321.73 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5s,8r,9s,10s,13s,14s,16r)-16-bromo-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
  • 16-.alpha.-bromo-3-.beta.-hydroxyandrost-5-en-17-one
  • 16-br-epi
  • 16-bromoepiandrosterone
  • 16.alpha.-bromoepiandrosterone
  • 16alpha-bromoepiandrosterone
  • 3beta-hydroxy-16alpha-bromo-5alpha-androstan-17-one
  • 5alpha-androstan-17-one, 16alpha-bromo-3beta-hydroxy-
  • alpha-epi-br
  • dhea analog
  • drg-0318
  • he 2000
  • immunitin
  • ppb2
CAS Number(s)
  • 28507-02-0
InChIKey CWVMWSZEMZOUPC-JUAXIXHSSA-N
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Elements H C O Br