(1Ar,1Bs,4Ar,7As,7Br,8R,9As)-4A,7B-Dihydroxy-1,1,6,8-Tetramethyl-5-Oxo-3-({[6-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranosyl]Oxy}Methyl)-1,1A,1B,4,4A,5,7A,7B,8,9-Decahydro-9Ah-Cyclopropa[3,4]Benzo[1,2-E]Azulen-9A-Yl Acetate

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Formula C35H44O15
IUPAC Name (1ar,1bs,4ar,7as,7br,8r,9as)-4a,7b-dihydroxy-1,1,6,8-tetramethyl-5-oxo-3-({[6-o-(3,4,5-trihydroxybenzoyl)-β-d-glucopyranosyl]oxy}methyl)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9ah-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl acetate
Molecular Mass 704.715 g·mol−1
Heat of Formation -2508.0 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 805.52 Å 3
Surface Area 554.22 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey HILKKSGKHWLFAN-QWOHJRRRSA-N
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