(2S,3E,5S,7S,8S,10R,13S)-2,13-Diacetoxy-7,10-Dihydroxy-8,12,15,15-Tetramethyl-9-Oxotricyclo[9.3.1.1~4,8~]Hexadeca-3,11-Dien-5-Yl (2R,3S)-3-(Dimethylamino)-2-Hydroxy-3-Phenylpropanoate
Properties
| Property | Value |
|---|---|
| Formula | C35H47NO10 |
| IUPAC Name | [(1s,2s,3e,5s,7r,8r,10r,13r)-2,13-diacetoxy-7,10-dihydroxy-8,12,15,15-tetramethyl-9-oxo-5-tricyclo[9.3.1.14,8]hexadeca-3,11-dienyl] (2s,3s)-3-(dimethylamino)-2-hydroxy-3-phenyl-propanoate |
| Molecular Mass | 641.748 g·mol−1 |
| Heat of Formation | 2932.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.20 ± 1.08 D |
| Volume | 585.87 Å 3 |
| Surface Area | 447.31 Å 2 |
| HOMO Energy | -8.77 ± 0.55 eV |
| LUMO Energy | -2.81 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KOTXAHKUCAQPQA-BURAOFGFSA-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 |