(20-Ethyl-7,8,14-Trihydroxy-1,6,16-Trimethoxyaconitan-4-Yl)Methyl 2-(3-Methyl-2,5-Dioxo-1-Pyrrolidinyl)Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C36H48N2O10 |
| IUPAC Name | [(1alpha,6beta,14alpha,16beta)-20-ethyl-7,8,14-trihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-[(3s)-3-methyl-2,5-dioxo-1-pyrrolidinyl]benzoate |
| Molecular Mass | 668.774 g·mol−1 |
| Heat of Formation | -1702.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.96 ± 1.08 D |
| Volume | 768.76 Å 3 |
| Surface Area | 553.17 Å 2 |
| HOMO Energy | -8.13 ± 0.55 eV |
| LUMO Energy | -0.80 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GFWYSOWSJXKFFQ-IPVNYRSLSA-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 |