(11β,12Alpha,15β)-15-{[(2E)-4-Acetoxy-3,4-Dimethyl-2-Pentenoyl]Oxy}-3,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oic Acid

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Formula C29H36O13
IUPAC Name (11beta,12alpha,15beta)-15-{[(2e)-4-acetoxy-3,4-dimethyl-2-pentenoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oic acid
Molecular Mass 592.588 g·mol−1
Heat of Formation -2331.4 ± 16.7 kJ·mol−1
Dipole Moment 9.76 ± 1.08 D
Volume 645.3 Å 3
Surface Area 471.83 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey HPJCIKYCFBCHLF-IVOVFOCPSA-N
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