(16α)-3,20-Dioxopregn-4-En-16-Yl Bromoacetate

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Properties Simple | Detailed

Formula C23H31BrO4
IUPAC Name [(8s,9s,10r,13s,14s,16r,17r)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
Molecular Mass 451.394 g·mol−1
Heat of Formation -817.0 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 497.86 Å 3
Surface Area 394.54 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (16-alpha)-16-((bromoacetyl)oxy)pregn-4-ene-3,20-dione
  • 16-alpha-(bromoacetoxy)progesterone
  • 16alpha-bromoacetoxyprogesterone
  • 2-bromoacetic acid [(8s,9s,10r,13s,14s,16r,17r)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] ester
  • 2-bromoacetic acid [(8s,9s,10r,13s,14s,16r,17r)-17-acetyl-3-keto-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] ester
  • [(8s,9s,10r,13s,14s,16r,17r)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoacetate
  • [(8s,9s,10r,13s,14s,16r,17r)-17-ethanoyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-16-yl] 2-bromoethanoate
  • cgp 10944
  • pregn-4-ene-3,20-dione, 16-((bromoacetyl)oxy)-, (16-alpha)-
  • pregn-4-ene-3,20-dione, 16-((bromoacetyl)oxy)-, (16alpha)-
CAS Number(s)
  • 51541-48-1
InChIKey OSCUNNXAVGTHCW-DCCLSMNISA-N
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