(1A,3A,6A,14A,15A,16B)-20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitane-3,8,13,14,15-Pentol 8-Acetate 14-(4-Methoxybenzoate)
Properties
| Property | Value |
|---|---|
| Formula | C35H49NO12 |
| IUPAC Name | (3alpha,5alpha,6alpha,14beta,15alpha,16beta)-8-acetoxy-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate |
| Molecular Mass | 675.763 g·mol−1 |
| Heat of Formation | -2066.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.69 ± 1.08 D |
| Volume | 767.23 Å 3 |
| Surface Area | 533.48 Å 2 |
| HOMO Energy | -8.33 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MGTJNQWIXFSPLC-DMCHUPBKSA-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 |