(7R,8R,8As)-5-Chloro-3-[(1E,3E)-3,5-Dimethyl-1,3-Heptadien-1-Yl]-7-Hydroxy-7-Methyl-6-Oxo-6,7,8,8A-Tetrahydro-1H-Isochromen-8-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C21H27ClO5 |
| IUPAC Name | [(7s,8r,8ar)-5-chloro-3-[(1e,3e,5r)-3,5-dimethylhepta-1,3-dienyl]-7-hydroxy-7-methyl-6-oxo-8,8a-dihydro-1h-isochromen-8-yl] acetate |
| Molecular Mass | 394.889 g·mol−1 |
| Heat of Formation | -862.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.21 ± 1.08 D |
| Volume | 478.05 Å 3 |
| Surface Area | 412.53 Å 2 |
| HOMO Energy | -8.81 ± 0.55 eV |
| LUMO Energy | -1.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MMOJJYPBNVVCGY-LPCIEJDJSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O Cl |