(1α,6α,14α,15α,16Beta)-8-Acetoxy-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C33H45NO10 |
| IUPAC Name | (1alpha,6alpha,14alpha,15alpha,16beta)-8-acetoxy-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
| Molecular Mass | 615.711 g·mol−1 |
| Heat of Formation | -1404.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.98 ± 1.08 D |
| Volume | 709.12 Å 3 |
| Surface Area | 507.58 Å 2 |
| HOMO Energy | -8.17 ± 0.55 eV |
| LUMO Energy | 2.34 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | FIDOCHXHMJHKRW-GKVQVCCJSA-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 |