(11β)-6,11-Dichloro-3,20-Dioxo-19-Norpregna-4,6-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C22H26Cl2O4
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-6,11-dichloro-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 425.345 g·mol−1
Heat of Formation -826.0 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 480.66 Å 3
Surface Area 373.22 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 17-acetoxy-6,11beta-dichloro-19-nor-4,6-pregnadiene-3,20-dione
  • 17-alpha-acetoxy-6-beta,11-beta-dichloro-19-norpregna-4,6-diene-3,20-dione
  • 19-norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6,11-dichloro-, (11-beta)- (9ci)
  • 19-norpregna-4,6-diene-3,20-dione, 6,11-beta-dichloro-17-hydroxy-, acetate
  • 6,11-beta-dichloro-17-hydroxy-19-norpregna-4,6-diene-3,20-dione acetate
  • [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-6,11-dichloro-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,9s,10r,11s,13s,14s,17r)-6,11-dichloro-17-ethanoyl-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-6,11-dichloro-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8s,9s,10r,11s,13s,14s,17r)-17-acetyl-6,11-dichloro-3-keto-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
  • gr 2-1159
  • gr 2/1159
CAS Number(s)
  • 24432-00-6
InChIKey QXRJFXZGASLOIV-IEOJGUNBSA-N
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