(5Xi,8Xi,9Xi,16β,17Xi)-3-Acetoxy-8-Ethoxy-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C36H51NO11 |
| IUPAC Name | 3-acetoxy-8-ethoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Molecular Mass | 673.790 g·mol−1 |
| Heat of Formation | -1676.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.29 ± 1.08 D |
| Volume | 786.26 Å 3 |
| Surface Area | 551.4 Å 2 |
| HOMO Energy | -8.44 ± 0.55 eV |
| LUMO Energy | -0.76 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DXAQZKJLRXMIFW-NNSXUSQFSA-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 |