(11β,16Alpha,17β)-17-(Cyclopropylcarbonyl)-11-[4-(3-Pyridinyl)Phenyl]-16-Vinylestra-4,9-Dien-3-One

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Formula C35H37NO2
IUPAC Name (8s,11r,13s,14s,16s,17s)-17-(cyclopropanecarbonyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-16-vinyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 503.674 g·mol−1
Heat of Formation 19.8 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 640.12 Å 3
Surface Area 492.2 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,11r,13s,14s,16s,17s)-17-(cyclopropanecarbonyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-16-vinyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,11r,13s,14s,16s,17s)-17-(cyclopropanecarbonyl)-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,11r,13s,14s,16s,17s)-17-(cyclopropyl-oxomethyl)-13-methyl-11-[4-(3-pyridyl)phenyl]-16-vinyl-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,11r,13s,14s,16s,17s)-17-cyclopropylcarbonyl-16-ethenyl-13-methyl-11-(4-pyridin-3-ylphenyl)-2,6,7,8,11,12,14,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-3-one
InChIKey AUWGCRAJBXNPNU-WWVPXYRRSA-N
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