(1S,4R,9β,16Alpha,20S,23E)-1,16,20-Trihydroxy-9,10,14-Trimethyl-2,11,22-Trioxo-4,9-Cyclo-9,10-Secocholesta-5,23-Dien-25-Yl Acetate

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Formula C32H36O8
IUPAC Name [(e,6s)-6-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Molecular Mass 548.623 g·mol−1
Heat of Formation -1579.6 ± 16.7 kJ·mol−1
Dipole Moment 7.46 ± 1.08 D
Volume 678.92 Å 3
Surface Area 500.73 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
InChIKey WTBZNVRBNJWSPF-IRRSPDRYSA-N
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