11B-(P-(Dimethylamino)Phenyl)-17B-Hydroxy-17-((Z)-3-Hydroxypropenyl)Estra-4,9-Dien-3-One

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Formula C29H37NO3
IUPAC Name (8s,11r,13s,14s,17r)-11-(4-dimethylaminophenyl)-17-hydroxy-17-[(z)-3-hydroxyprop-1-enyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 447.609 g·mol−1
Heat of Formation -408.6 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 558.88 Å 3
Surface Area 438.45 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.67 ± eV
Point Group Symmetry C1
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InChIKey RCOWGILQXUPXEW-FUSOFXSQSA-N
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