Megestrol Acetate

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Properties Simple | Detailed

Formula C24H32O4
IUPAC Name [(8r,9r,10s,13s,14s,17r)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 384.508 g·mol−1
Heat of Formation -776.0 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 481.2 Å 3
Surface Area 365.36 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • [(8r,9r,10s,13s,14s,17r)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
  • [(8r,9r,10s,13s,14s,17r)-17-ethanoyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8r,9r,10s,13s,14s,17r)-17-acetyl-3-keto-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
  • acetic acid [(8r,9r,10s,13s,14s,17r)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-17-yl] ester
InChIKey RQZAXGRLVPAYTJ-JJIRRVJSSA-N
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