Methyl (11β,12Alpha,13Xi,15β)-15-{[(2E)-3,4-Dimethyl-2-Pentenoyl]Oxy}-2-(Hexopyranosyloxy)-11,12-Dihydroxy-3,16-Dioxo-13,20-Epoxypicras-1-En-21-Oate

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Properties Simple | Detailed

Formula C34H46O16
IUPAC Name methyl (9xi,11beta,12beta,13beta,15beta)-15-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-11,12-dihydroxy-2-(beta-d-mannopyranosyloxy)-3,16-dioxo-13,20-epoxypicras-1-en-21-oate
Molecular Mass 710.719 g·mol−1
Heat of Formation -2797.5 ± 16.7 kJ·mol−1
Dipole Moment 5.87 ± 1.08 D
Volume 798.71 Å 3
Surface Area 566.21 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey ASHBUMOFZXVPPC-LOFPQCJESA-N
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