(11β)-3,20-Dioxo-11-[4-(1-Piperidinyl)Phenyl]-19-Norpregna-4,9-Dien-17-Yl Acetate

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Properties Simple | Detailed

Formula C33H41NO4
IUPAC Name [(8s,11r,13s,14s,17r)-17-acetyl-13-methyl-3-oxo-11-[4-(1-piperidyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 515.683 g·mol−1
Heat of Formation -674.0 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 639.44 Å 3
Surface Area 496.09 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 2.57 ± eV
Point Group Symmetry C1
Synonyms
  • [(8s,11r,13s,14s,17r)-17-acetyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,11r,13s,14s,17r)-17-acetyl-13-methyl-3-oxo-11-[4-(1-piperidyl)phenyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
  • [(8s,11r,13s,14s,17r)-17-ethanoyl-13-methyl-3-oxo-11-(4-piperidin-1-ylphenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ethanoate
  • acetic acid [(8s,11r,13s,14s,17r)-17-acetyl-3-keto-13-methyl-11-(4-piperidinophenyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] ester
InChIKey AFUBKIQQSUBSGF-LNAXGRFASA-N
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