(1S,4As,6S,7S,7As)-1-(β-D-Glucopyranosyloxy)-6-{[(2E)-3-(4-Hydroxy-3-Methoxyphenyl)-2-Propenoyl]Oxy}-7-Methyl-1,4A,5,6,7,7A-Hexahydrocyclopenta[C]Pyran-4-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C26H32O13 |
IUPAC Name | (1s,4as,6s,7s,7as)-6-[(e)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-7-methyl-1-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid |
Molecular Mass | 552.524 g·mol−1 |
Heat of Formation | -2177.1 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.99 ± 1.08 D |
Volume | 619.23 Å 3 |
Surface Area | 514.78 Å 2 |
HOMO Energy | -8.84 ± 0.55 eV |
LUMO Energy | -0.85 ± eV |
Point Group Symmetry | C1 |
InChIKey | DVNQRYDJAAFJBQ-GBLWNDTNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |