(1α,5Xi,6α,9Xi,10α,13Xi,15α,16Beta)-8-Acetoxy-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C34H47NO10 |
| IUPAC Name | (1alpha,6alpha,7beta,14alpha,15alpha,16beta)-8-acetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Molecular Mass | 629.738 g·mol−1 |
| Heat of Formation | -1707.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.45 ± 1.08 D |
| Volume | 729.02 Å 3 |
| Surface Area | 505.31 Å 2 |
| HOMO Energy | -8.13 ± 0.55 eV |
| LUMO Energy | 2.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PHASMOUKYDUAOZ-YNOWHOKFSA-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 |