Methyl (1β,11β,12Alpha,15β)-15-(Benzoyloxy)-1,11,12-Trihydroxy-2,16-Dioxo-13,20-Epoxypicras-3-En-21-Oate

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Formula C22H14O11
IUPAC Name methyl (1beta,11beta,12alpha,15beta)-15-(benzoyloxy)-1,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oate
Molecular Mass 454.340 g·mol−1
Heat of Formation -1749.7 ± 16.7 kJ·mol−1
Dipole Moment 8.56 ± 1.08 D
Volume 579.05 Å 3
Surface Area 437.1 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey QSNVEJIGBNLCQI-NVBRUEICSA-N
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Elements H C O