(1R,3S,5E)-5-{(2E)-2-[(3As,7Ar)-1-{1-[(2-Hydroxy-2-Methylpropyl)Sulfanyl]-2-Propanyl}-7A-Methyloctahydro-4H-Inden-4-Ylidene]Ethylidene}-4-Methylene-1,3-Cyclohexanediol
Properties
| Property | Value |
|---|---|
| Formula | C26H42O3S |
| IUPAC Name | (1r,3s,5e)-5-[(2e)-2-[(1r,3as,7ar)-1-[(1r)-2-(2-hydroxy-2-methyl-propyl)sulfanyl-1-methyl-ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol |
| Molecular Mass | 434.675 g·mol−1 |
| Heat of Formation | -674.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.62 ± 1.08 D |
| Volume | 571.38 Å 3 |
| Surface Area | 461.85 Å 2 |
| HOMO Energy | -8.24 ± 0.55 eV |
| LUMO Energy | -0.00 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QNEWRBHWHUMBFL-GELIMAJYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O |