3,20-Dioxopregn-4-En-17-Yl Bromoacetate

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Properties Simple | Detailed

Formula C23H31BrO4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 2-bromoacetate
Molecular Mass 451.394 g·mol−1
Heat of Formation -810.6 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 495.56 Å 3
Surface Area 384.87 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 17-((bromoacetyl)oxy)pregn-4-ene-3,20-dione
  • 17-(bromoacetoxy)progesterone
  • 2-bromoacetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • 2-bromoacetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 2-bromoacetate
  • [(8r,9s,10r,13s,14s,17r)-17-ethanoyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl] 2-bromoethanoate
  • pregn-4-ene-3,20-dione, 17-((bromoacetyl)oxy)-
CAS Number(s)
  • 61886-11-1
InChIKey RSPPFOHIWOFDRK-JZTHCNPZSA-N
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Elements H C O Br