(3S,3As,4R,8As)-3-Hydroxy-3-Isopropyl-6,8A-Dimethyl-1,2,3,3A,4,5,8,8A-Octahydro-4-Azulenyl 4-Hydroxy-3-Methoxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C23H32O5 |
| IUPAC Name | [(3s,3ar,4s,8ar)-3-hydroxy-3-isopropyl-6,8a-dimethyl-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxy-3-methoxy-benzoate |
| Molecular Mass | 388.497 g·mol−1 |
| Heat of Formation | -926.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.32 ± 1.08 D |
| Volume | 482.3 Å 3 |
| Surface Area | 379.81 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | -0.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YEQVRBJRNFLOQJ-SQOUVECCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |