(3S,3Ar,4S,6As,7E,10S,12R,13E,15R,15As)-3-Benzyl-12-Hydroxy-4,5,10,12-Tetramethyl-1-Oxo-2,3,3A,4,6A,9,10,11,12,15-Decahydro-1H-Cycloundeca[D]Isoindol-15-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C30H39NO4 |
| IUPAC Name | [(1s,2r,3e,5r,7s,9e,11s,14s,15r,16s)-16-benzyl-5-hydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,12-trien-2-yl] acetate |
| Molecular Mass | 477.635 g·mol−1 |
| Heat of Formation | 909.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.95 ± 1.08 D |
| Volume | 601.38 Å 3 |
| Surface Area | 451.1 Å 2 |
| HOMO Energy | -6.06 ± 0.55 eV |
| LUMO Energy | -4.47 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LYHWACCLUSDGME-HTGZJUKKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |