(3S,7S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-Dimethylhexyl]-7-Hydroperoxy-10,13-Dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Ol

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Formula C27H46O3
IUPAC Name (3s,7s,8s,9s,10r,13r,14s,17r)-17-[(1r)-1,5-dimethylhexyl]-7-hydroperoxy-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-ol
Molecular Mass 418.652 g·mol−1
Heat of Formation -604.9 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 564.08 Å 3
Surface Area 442.13 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 0.98 ± eV
Point Group Symmetry C1
InChIKey HWLLZCROMOUSEJ-KGZHIOMZSA-N
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