(3β,5β,14Alpha,17Alpha)-3,14-Dihydroxybufa-20,22-Dienolide

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Formula C24H34O4
IUPAC Name 5-[(3s,5r,8r,9s,10s,13r,14r,17s)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one
Molecular Mass 386.524 g·mol−1
Heat of Formation -832.2 ± 16.7 kJ·mol−1
Dipole Moment 7.11 ± 1.08 D
Volume 474.8 Å 3
Surface Area 359.2 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey QEEBRPGZBVVINN-ONGIWDLKSA-N
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