(E)-4-[[(6R,8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-6-Yl]Oxy]-4-Oxo-But-2-Enoic Acid

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Formula C25H32O6
IUPAC Name (e)-4-[[(6r,8s,9s,10r,13s,14s,17s)-17-acetyl-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-6-yl]oxy]-4-oxo-but-2-enoic acid
Molecular Mass 428.518 g·mol−1
Heat of Formation -1102.3 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 524.34 Å 3
Surface Area 408.57 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey WBMVXRJIPSWBTK-UXPUICRKSA-N
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