(1α,10α,13α,14α,16Beta,17Xi)-20-Ethyl-8,9-Dihydroxy-1,14,16-Trimethoxyaconitan-4-Yl 2-Acetamidobenzoate
Properties
| Property | Value |
|---|---|
| Formula | C32H44N2O8 |
| IUPAC Name | (5alpha,14beta,16beta)-20-ethyl-8,9-dihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-acetamidobenzoate |
| Molecular Mass | 584.700 g·mol−1 |
| Heat of Formation | -1396.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.15 ± 1.08 D |
| Volume | 676.48 Å 3 |
| Surface Area | 509.53 Å 2 |
| HOMO Energy | -8.47 ± 0.55 eV |
| LUMO Energy | 2.46 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NWBWCXBPKTTZNQ-QOQRDJBUSA-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 |