(13S,17R)-17-Hydroxy-13-Methyl-17-Propadienyl-1,2,6,7,8,11,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-3-One

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Formula C21H26O2
IUPAC Name (8s,13s,14s,17r)-17-hydroxy-13-methyl-17-propa-1,2-dienyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 310.430 g·mol−1
Heat of Formation -224.4 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 396.5 Å 3
Surface Area 328.05 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey RBQWEDYROUFTDJ-ANULTFPQSA-N
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