(3S,8R,9S,10S,13R,14S,17R)-17-[(2R)-6-Hydroxy-6-Methyl-2-Heptanyl]-10,13-Dimethyl-1,2,3,4,5,6,8,9,10,11,12,13,14,15,16,17-Hexadecahydrospiro[Cyclopenta[A]Phenanthrene-7,3'-Diaziren]-3-Ol

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Formula C27H46N2O2
IUPAC Name (3s,5s,8r,9s,10s,13r,14s,17r)-17-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-10,13-dimethyl-spiro[1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-7,3'-diazirine]-3-ol
Molecular Mass 430.666 g·mol−1
Heat of Formation -375.1 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 581.75 Å 3
Surface Area 443.41 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey BZEZIWPLZKOHDZ-BVINDDIJSA-N
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