(1S,2S,3Ar,4S,5S,6E,9R,11R,12E,13As)-4,9,11-Triacetoxy-3A-Hydroxy-2,5,8,8,12-Pentamethyl-2,3,3A,4,5,8,9,10,11,13A-Decahydro-1H-Cyclopenta[12]Annulen-1-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C33H44O9 |
| IUPAC Name | [(1s,2s,3ar,4s,5s,6e,9r,11r,12e,13as)-4,9,11-triacetoxy-3a-hydroxy-2,5,8,8,12-pentamethyl-2,3,4,5,9,10,11,13a-octahydro-1h-cyclopenta[12]annulen-1-yl] benzoate |
| Molecular Mass | 584.697 g·mol−1 |
| Heat of Formation | -1761.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.57 ± 1.08 D |
| Volume | 712.99 Å 3 |
| Surface Area | 479.74 Å 2 |
| HOMO Energy | -9.28 ± 0.55 eV |
| LUMO Energy | -0.42 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BRVXVMOWTHQKHC-LKCWGRRXSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |