(3S,4E)-3-(α-D-Glucopyranosyloxy)-6-(4-Hydroxy-6-Methoxy-7-Methyl-3-Oxo-1,3-Dihydro-2-Benzofuran-5-Yl)-4-Methyl-4-Hexenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C23H30O12 |
| IUPAC Name | (e,3s)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-isobenzofuran-5-yl)-4-methyl-3-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hex-4-enoic acid |
| Molecular Mass | 498.477 g·mol−1 |
| Heat of Formation | -2149.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.03 ± 1.08 D |
| Volume | 562.53 Å 3 |
| Surface Area | 447.14 Å 2 |
| HOMO Energy | -9.57 ± 0.55 eV |
| LUMO Energy | 1.98 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WYXRFIJAMXLLNA-YVWBRKQGSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |