(5Xi,9Xi,10Xi,13Xi,16β,17Xi)-20-Ethyl-13,15-Dihydroxy-1,6,8,16-Tetramethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C33H47NO9 |
| IUPAC Name | (5xi,9xi,10xi,13xi,16beta,17xi)-20-ethyl-13,15-dihydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Molecular Mass | 601.728 g·mol−1 |
| Heat of Formation | -1471.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.21 ± 1.08 D |
| Volume | 698.76 Å 3 |
| Surface Area | 496.16 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | -0.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WXQMJWAPTHUPHW-FBYRGYIKSA-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 |