2-[(5R,8S,9S,10S,13R,14S,17R)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Ethane-1,1,1-Triol

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Formula C21H36O3
IUPAC Name 2-[(5r,8s,9s,10s,13r,14s,17r)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]ethane-1,1,1-triol
Molecular Mass 336.509 g·mol−1
Heat of Formation -898.2 ± 16.7 kJ·mol−1
Dipole Moment 0.71 ± 1.08 D
Volume 437.81 Å 3
Surface Area 345.37 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 5.12 ± eV
Point Group Symmetry C1
InChIKey IHLXICMZQRPJCC-LFGUEBOJSA-N
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