(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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |