(1α,3α,6α,10α,13α,14α,15α,16Beta,17Xi)-3,15-Diacetoxy-20-Ethyl-8,13-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C36H49NO12 |
| IUPAC Name | (1alpha,3alpha,6alpha,10alpha,13alpha,14alpha,15alpha,16beta,17xi)-3,15-diacetoxy-20-ethyl-8,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Molecular Mass | 687.774 g·mol−1 |
| Heat of Formation | -2082.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.99 ± 1.08 D |
| Volume | 791.42 Å 3 |
| Surface Area | 547.48 Å 2 |
| HOMO Energy | -8.34 ± 0.55 eV |
| LUMO Energy | -0.18 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HAPWUGIDIIBQHS-TUIHXACWSA-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 |