Methyl (11β,12Alpha,13β,15β)-2-(β-D-Glucopyranosyloxy)-11,12-Dihydroxy-15-[(3-Methylbutanoyl)Oxy]-1,16-Dioxo-13,20-Epoxypicras-2-En-21-Oate

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Properties Simple | Detailed

Formula C32H44O16
IUPAC Name methyl (11beta,12alpha,13beta,15beta)-2-(beta-d-glucopyranosyloxy)-11,12-dihydroxy-15-[(3-methylbutanoyl)oxy]-1,16-dioxo-13,20-epoxypicras-2-en-21-oate
Molecular Mass 684.682 g·mol−1
Heat of Formation -2856.6 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 758.82 Å 3
Surface Area 550.93 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.47 ± eV
Point Group Symmetry C1
InChIKey NLCZJLRVAIBIDP-FCODWIRGSA-N
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