Delmadinone Acetate

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Properties Simple | Detailed

Formula C23H27ClO4
IUPAC Name [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 402.911 g·mol−1
Heat of Formation -682.6 ± 16.7 kJ·mol−1
Dipole Moment 4.13 ± 1.08 D
Volume 472.91 Å 3
Surface Area 370.51 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9s,10r,13s,14s,17r)-6-chloro-17-ethanoyl-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9s,10r,13s,14s,17r)-17-acetyl-6-chloro-3-keto-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-yl] ester
  • d03675
  • delmadinone acetate (usan)
InChIKey CGBCCZZJVKUAMX-DFXBJWIESA-N
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Elements H C O Cl