(1α,3α,6α,14α,15α,16Beta)-20-Ethyl-3,8,13,15-Tetrahydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C32H45NO10 |
| IUPAC Name | (1alpha,3alpha,6alpha,14beta,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Molecular Mass | 603.700 g·mol−1 |
| Heat of Formation | -1665.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.70 ± 1.08 D |
| Volume | 690.67 Å 3 |
| Surface Area | 498.2 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | -0.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DHJXZSFKLJCHLH-BMTFSNIDSA-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 |