(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-[(1r,4r,5s)-4,5,6-trihydroxy-1-methyl-hexyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular Mass 454.640 g·mol−1
Heat of Formation -1448.2 ± 16.7 kJ·mol−1
Dipole Moment 5.62 ± 1.08 D
Volume 577.84 Å 3
Surface Area 447.07 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 4.97 ± eV
Point Group Symmetry C1
InChIKey PYLPANOYZCSFOX-UHWRNXLSSA-N
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