(3S,4R,5R,9R,10R,13R,14R,17R)-3-(Dimethylamino)-17-[(2R)-1-(4-Isopropylidene-1-Oxido-3,4-Dihydro-2H-Pyrrol-5-Yl)-2-Propanyl]-10,13-Dimethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-4-Ol

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Formula C31H50N2O2+
IUPAC Name (3s,4r,5r,9r,10r,13r,14r,17r)-3-(dimethylamino)-10,13-dimethyl-17-[(1r)-1-methyl-2-[4-(1-methylvinyl)-1-oxido-3h-pyrrol-5-yl]ethyl]-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-4-ol
Molecular Mass 482.741 g·mol−1
Heat of Formation -355.7 ± 16.7 kJ·mol−1
Dipole Moment 1.85 ± 1.08 D
Volume 637.74 Å 3
Surface Area 484.07 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy 3.21 ± eV
Point Group Symmetry C1
InChIKey QUWDXZBGZWUKTR-CWNRNWKTSA-N
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