Methyl (2α,3α,11Beta,12α,13Beta,15Beta)-2,3,11,12-Tetrahydroxy-15-[(3-Methyl-2-Butenoyl)Oxy]-16-Oxo-13,20-Epoxypicrasan-21-Oate

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Formula C22H14O11
IUPAC Name methyl (2alpha,3alpha,11beta,12alpha,13beta,15beta)-2,3,11,12-tetrahydroxy-15-[(3-methyl-2-butenoyl)oxy]-16-oxo-13,20-epoxypicrasan-21-oate
Molecular Mass 454.340 g·mol−1
Heat of Formation -1999.7 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 588.13 Å 3
Surface Area 451.07 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
InChIKey HGWAIHIPTWRNHL-QFWHAJIVSA-N
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Elements H C O