11,21,21-Trihydroxy-3,20-Dioxopregna-1,4-Dien-17-Yl Benzoate

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Formula C28H14O7
IUPAC Name [(8s,9s,10r,11s,13s,14s,17r)-17-(2,2-dihydroxyacetyl)-11-hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-yl] benzoate
Molecular Mass 462.407 g·mol−1
Heat of Formation 2913.2 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 491.78 Å 3
Surface Area 413.9 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -3.95 ± eV
Point Group Symmetry C1
InChIKey WOTRZIGJOBXZSH-IIZVWERESA-N
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