Methyl (11β,12Alpha,15β)-2,11,12-Trihydroxy-15-[(3-Methyl-2-Butenoyl)Oxy]-3,16-Dioxo-13,20-Epoxypicrasa-1,4-Dien-21-Oate

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Formula C22H14O11
IUPAC Name methyl (11beta,12alpha,15beta)-2,11,12-trihydroxy-15-[(3-methyl-2-butenoyl)oxy]-3,16-dioxo-13,20-epoxypicrasa-1,4-dien-21-oate
Molecular Mass 454.340 g·mol−1
Heat of Formation -1812.3 ± 16.7 kJ·mol−1
Dipole Moment 8.76 ± 1.08 D
Volume 556.75 Å 3
Surface Area 420.64 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey FVPJJJBZBYEPPP-IRPUDBTHSA-N
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