1-O-{(2Z,4E)-5-[(1S)-1-Hydroxy-2,6,6-Trimethyl-4-Oxo-2-Cyclohexen-1-Yl]-3-Methyl-2,4-Pentadienoyl}-β-D-Glucopyranose
Properties
| Property | Value |
|---|---|
| Formula | C21H30O9 |
| IUPAC Name | [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (2z,4e)-5-[(1s)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoate |
| Molecular Mass | 426.458 g·mol−1 |
| Heat of Formation | -1605.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.07 ± 1.08 D |
| Volume | 510.36 Å 3 |
| Surface Area | 404.2 Å 2 |
| HOMO Energy | -9.85 ± 0.55 eV |
| LUMO Energy | -0.55 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HLVPIMVSSMJFPS-VTEUUMMASA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |