1-{4-[(3α,13α,14Beta,17α)-3-Hydroxy-4,4,14-Trimethylandrost-7-En-17-Yl]-1H-Pyrrol-2-Yl}-2-Methyl-1-Propanone

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Formula C30H45NO2
IUPAC Name 1-[3-[(3r,5r,9r,10r,13s,14s,17r)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-2h-pyrrol-1-ium-2-ylium-5-yl]-2-methyl-propan-1-one
Molecular Mass 451.684 g·mol−1
Heat of Formation -500.4 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 590.73 Å 3
Surface Area 447.95 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
InChIKey OYZKNOGIJLFQSF-IMJUUJEHSA-N
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