(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-5,6,7-Trihydroxy-2-Heptanyl]Hexadecahydro-1H-Cyclopenta[A]Phenanthrene-3,7,12-Triol

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Formula C26H46O6
IUPAC Name (3r,5s,7r,8r,9s,10s,12s,13r,14s,17r)-10,13-dimethyl-17-[(2r)-5,6,7-trihydroxy-2-heptanyl]hexadecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular Mass 454.640 g·mol−1
Heat of Formation 2357.1 ± 16.7 kJ·mol−1
Dipole Moment 35.62 ± 1.08 D
Volume 492.4 Å 3
Surface Area 446.04 Å 2
HOMO Energy -7.64 ± 0.55 eV
LUMO Energy -3.57 ± eV
Point Group Symmetry C1
InChIKey PYLPANOYZCSFOX-KIGVYXEASA-N
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