[(1α,5Xi,6Beta,9Xi,10Xi,14α,16Beta)-20-Ethyl-7,8-Dihydroxy-1,6,14,16-Tetramethoxyaconitan-4-Yl]Methyl 2-(2,5-Dioxo-1-Pyrrolidinyl)Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C36H48N2O10 |
| IUPAC Name | [(1alpha,5xi,6beta,9xi,10xi,14alpha,16beta)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-(2,5-dioxo-1-pyrrolidinyl)benzoate |
| Molecular Mass | 668.774 g·mol−1 |
| Heat of Formation | 3199.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.87 ± 1.08 D |
| Volume | 690.11 Å 3 |
| Surface Area | 506.62 Å 2 |
| HOMO Energy | -8.49 ± 0.55 eV |
| LUMO Energy | -2.74 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | KFXVNXQXPRPLQA-DYPQZYIQSA-O |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |