(1α,6α,14Beta,15α,16Beta,17S)-8,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C31H43NO9 |
| IUPAC Name | (1alpha,6alpha,14beta,15alpha,16beta,17s)-8,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
| Molecular Mass | 573.674 g·mol−1 |
| Heat of Formation | -1448.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.42 ± 1.08 D |
| Volume | 660.11 Å 3 |
| Surface Area | 480.62 Å 2 |
| HOMO Energy | -8.31 ± 0.55 eV |
| LUMO Energy | -0.35 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MDFCJNFOINXVSU-ZEDVMUKVSA-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 |