[(5Xi,6β,7β,9Xi,14Alpha,16β)-20-Ethyl-7,8-Dihydroxy-1,6,14,16-Tetramethoxyaconitan-4-Yl]Methyl 2-Acetamidobenzoate
Properties
Property | Value |
---|---|
Formula | C34H48N2O9 |
IUPAC Name | ajacine |
Molecular Mass | 628.753 g·mol−1 |
Heat of Formation | -1523.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.50 ± 1.08 D |
Volume | 733.59 Å 3 |
Surface Area | 513.05 Å 2 |
HOMO Energy | -8.73 ± 0.55 eV |
LUMO Energy | -0.63 ± eV |
Point Group Symmetry | C1 |
InChIKey | NUXFDCYXMLVOFU-KFDJXXITSA-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 |