Megestrol

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Properties Simple | Detailed

Formula C22H30O3
IUPAC Name (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 342.472 g·mol−1
Heat of Formation -596.0 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 432.61 Å 3
Surface Area 339.97 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s,17r)-17-acetyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s,17r)-17-ethanoyl-17-hydroxy-6,10,13-trimethyl-2,8,9,11,12,14,15,16-octahydro-1h-cyclopenta[a]phenanthren-3-one
  • 17-hydroxy-6-methylpregna-4,6-diene-3,20-dione
  • megestrolo [dcit]
  • pregna-4,6-diene-3,20-dione, 17-hydroxy-6-methyl-
CAS Number(s)
  • 3562-63-8
InChIKey VXIMPSPISRVBPZ-NWUMPJBXSA-N
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