(1α,3α,5Xi,6α,9Xi,10α,14α,15α,16Beta,17Xi)-20-Ethyl-3,8,13,15-Tetrahydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 4-Methoxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C33H47NO11 |
| IUPAC Name | (1alpha,3alpha,5xi,6alpha,9xi,10alpha,14alpha,15alpha,16beta,17xi)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate |
| Molecular Mass | 633.726 g·mol−1 |
| Heat of Formation | -1842.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.19 ± 1.08 D |
| Volume | 723.07 Å 3 |
| Surface Area | 518.73 Å 2 |
| HOMO Energy | -8.28 ± 0.55 eV |
| LUMO Energy | -0.39 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OKZRRYTYGSMPAD-TZNZJEHVSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |