(1α,3α,6α,7Beta,14α,16Beta)-8-Acetoxy-20-Formyl-3,13-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 3,4-Dimethoxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C35H47NO13 |
| IUPAC Name | (1alpha,3alpha,6alpha,14alpha,16beta)-8-acetoxy-20-formyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate |
| Molecular Mass | 689.747 g·mol−1 |
| Heat of Formation | -2158.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.13 ± 1.08 D |
| Volume | 782.35 Å 3 |
| Surface Area | 551.78 Å 2 |
| HOMO Energy | -8.75 ± 0.55 eV |
| LUMO Energy | 2.63 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | RIFDYFATSFADDY-NRJUAHOSSA-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 |