(7S,8S,8As)-7-Hydroxy-3-[(1E)-3-Hydroxy-1-Propen-1-Yl]-7-Methyl-6-Oxo-6,7,8,8A-Tetrahydro-1H-Isochromen-8-Yl 2,4-Dihydroxy-6-Methylbenzoate
Properties
| Property | Value |
|---|---|
| Formula | C21H22O8 |
| IUPAC Name | [(7s,8s,8as)-7-hydroxy-3-[(e)-3-hydroxyprop-1-enyl]-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl] 2,4-dihydroxy-6-methyl-benzoate |
| Molecular Mass | 402.395 g·mol−1 |
| Heat of Formation | -1229.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.32 ± 1.08 D |
| Volume | 459.51 Å 3 |
| Surface Area | 387.89 Å 2 |
| HOMO Energy | -9.12 ± 0.55 eV |
| LUMO Energy | -0.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KKSKNERURMTALE-XWEVTOJWSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |