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

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Formula C32H42O8
IUPAC Name [(e)-6-hydroxy-2-methyl-5-oxo-6-[(2r,3s,8s,9r,10r,13r,14s,16r,17r)-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-3-en-2-yl] acetate
Molecular Mass 554.671 g·mol−1
Heat of Formation -1648.4 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 688.74 Å 3
Surface Area 498.15 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
InChIKey LMJMTWXDWFWZHV-HVFHTYCFSA-N
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