Demegestone

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Formula C21H28O2
IUPAC Name (8s,13s,14s,17s)-17-acetyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -408.1 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 397.69 Å 3
Surface Area 321.31 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s,17s)-17-acetyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • (8s,13s,14s,17s)-17-ethanoyl-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
  • 17alpha-methyl-19-demethylpregna-4,9-diene-3,20-dione
  • 19-norpregna-4,9-diene-3,20-dione, 17-methyl- (8ci)(9ci)
  • demegestone [dcf:inn]
InChIKey JWAHBTQSSMYISL-MHTWAQMVSA-N
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