6-Chloro-16-Methylene-3,20-Dioxopregna-4,6-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C24H29ClO4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 416.938 g·mol−1
Heat of Formation -706.0 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 492.45 Å 3
Surface Area 382.32 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 16-methylenechlormadinone
  • 17-acetoxy-6-chloro-16-methylene-4,6-pregnadiene-3,20-dione
  • 17alpha-acetoxy-6-chlor-16-methylen-6-dehydroprogesteron
  • 6-chlor-17alpha-hydroxy-16-methylen-4,6-pregnadien-3,20-dion 17-acetat
  • 6-chloro-17-hydroxy-16-methylenepregna-4,6-diene-3,20-dione acetate
  • 6-chloro-17alpha-hydroxy-16-methylene-4,6-pregnadiene-3,20-dione 17-acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-6-chloro-17-ethanoyl-10,13-dimethyl-16-methylidene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-16-methylene-3-oxo-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-3-keto-10,13-dimethyl-16-methylene-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-yl] ester
  • agelin
  • chlorsuperlutin
  • pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-chloro-16-methylene-
  • pregna-4,6-diene-3,20-dione, 6-chloro-17-hydroxy-16-methylene-, acetate
  • sch 12600
CAS Number(s)
  • 6799-23-1
InChIKey MDTBKPVVPCIBIT-USYNNDFZSA-N
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