(1α,6α,14α,16Beta)-20-Ethyl-13-Hydroxy-1,6,16-Trimethoxy-14-(4-Methoxybenzoyl)-4-(Methoxymethyl)Aconitan-8-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C35H49NO9 |
| IUPAC Name | (1alpha,6alpha,14alpha,16beta)-20-ethyl-13-hydroxy-1,6,16-trimethoxy-14-(4-methoxybenzoyl)-4-(methoxymethyl)aconitan-8-yl acetate |
| Molecular Mass | 627.765 g·mol−1 |
| Heat of Formation | -1495.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.57 ± 1.08 D |
| Volume | 736.78 Å 3 |
| Surface Area | 511.33 Å 2 |
| HOMO Energy | -8.08 ± 0.55 eV |
| LUMO Energy | 2.70 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YRECILNLFWZVRM-NCJNZZLWSA-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 |