Methyl (2α,11Beta,12α,13Beta,15Beta)-15-{[(2E)-3,4-Dimethyl-2-Pentenoyl]Oxy}-2,11,12-Trihydroxy-1,16-Dioxo-13,20-Epoxypicrasan-21-Oate

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Properties Simple | Detailed

Formula C28H38O11
IUPAC Name methyl (2alpha,11beta,12alpha,13beta,15beta)-15-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-2,11,12-trihydroxy-1,16-dioxo-13,20-epoxypicrasan-21-oate
Molecular Mass 550.595 g·mol−1
Heat of Formation -1986.7 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 620.76 Å 3
Surface Area 475.09 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
InChIKey OFEQMSZQMBVXLR-BWLCXNNMSA-N
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