Methyl (1β,2Alpha,11β,12Alpha,13β,15β)-1,2,11,12-Tetrahydroxy-15-{[(2E)-4-Hydroxy-3,4-Dimethyl-2-Pentenoyl]Oxy}-16-Oxo-13,20-Epoxypicras-3-En-21-Oate

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Formula C28H31O12
IUPAC Name methyl (1beta,2alpha,11beta,12alpha,13beta,15beta)-1,2,11,12-tetrahydroxy-15-{[(2e)-4-hydroxy-3,4-dimethyl-2-pentenoyl]oxy}-16-oxo-13,20-epoxypicras-3-en-21-oate
Molecular Mass 559.539 g·mol−1
Heat of Formation -2161.8 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 628.21 Å 3
Surface Area 469.07 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey BYOUNBVBMRXOLD-PVSFWKLVSA-N
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