(3β,5Alpha,17β)-Androstane-3,17-Diyl Bis(Bromoacetate)

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Properties Simple | Detailed

Formula C23H34Br2O4
IUPAC Name [(3s,5s,8r,9s,10s,13s,14s,17s)-17-(2-bromoacetyl)oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] 2-bromoacetate
Molecular Mass 534.322 g·mol−1
Heat of Formation -938.8 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 548.36 Å 3
Surface Area 435.15 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromoacetic acid [(3s,5s,8r,9s,10s,13s,14s,17s)-3-(2-bromo-1-oxoethoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 2-bromoacetic acid [(3s,5s,8r,9s,10s,13s,14s,17s)-3-(2-bromoacetyl)oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 5-dihydrotestosterone 3,17-bromoacetate
  • 5alpha-androstan-3,17-dibromoacetyloxy
  • 5alpha-dihydrotestosterone 3,17-bromoacetate
  • [(3s,5s,8r,9s,10s,13s,14s,17s)-3-(2-bromoacetyl)oxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] 2-bromoacetate
  • [(3s,5s,8r,9s,10s,13s,14s,17s)-3-(2-bromoethanoyloxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl] 2-bromoethanoate
  • androstane-3,17-diol, bis(bromoacetate), (3beta,5alpha,17beta)-
  • dht-3,17-bromoacetate
CAS Number(s)
  • 121520-97-6
InChIKey ZJOSZVQQVZODIK-OENGMGLDSA-N
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