(1S,2R,3R,5S,8E,12S,13S)-17-{(1E)-3-[(1R,3Ar,4R,7R)-7-(2-Hydroxy-2-Propanyl)-1,4-Dimethyl-1,2,3,3A,4,5,6,7-Octahydro-1-Azulenyl]-1-Propen-1-Yl}-4,4,8,12-Tetramethyltetracyclo[11.2.2.0~2,12~.0~3,5~]Heptadeca-8,16-Diene-14,15-Dione
Properties
| Property | Value |
|---|---|
| Formula | C39H56O3 |
| IUPAC Name | (1s,2r,3r,5s,8e,12s,13s)-17-{(1e)-3-[(1r,3ar,4r,7r)-7-(2-hydroxy-2-propanyl)-1,4-dimethyl-1,2,3,3a,4,5,6,7-octahydro-1-azulenyl]-1-propen-1-yl}-4,4,8,12-tetramethyltetracyclo[11.2.2.0 2,12 .0 3,5 ]heptadeca-8,16-diene-14,15-dione |
| Molecular Mass | 572.860 g·mol−1 |
| Heat of Formation | -557.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.91 ± 1.08 D |
| Volume | 770.11 Å 3 |
| Surface Area | 532.63 Å 2 |
| HOMO Energy | -9.00 ± 0.55 eV |
| LUMO Energy | 2.69 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XGRMXBMPNIMLIT-YVMYIDTDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |