(1α,3α,5Xi,6α,9Xi,10Xi,14α,15α,16Beta)-8-Acetoxy-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C34H47NO11 |
| IUPAC Name | (1alpha,3alpha,6alpha,7beta,14alpha,15alpha,16beta)-8-acetoxy-20-ethyl-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
| Molecular Mass | 645.737 g·mol−1 |
| Heat of Formation | -1847.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.78 ± 1.08 D |
| Volume | 737.11 Å 3 |
| Surface Area | 509.11 Å 2 |
| HOMO Energy | -8.54 ± 0.55 eV |
| LUMO Energy | -0.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XFSBVAOIAHNAPC-FJCNLIIVSA-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 |