[(1α,6Beta,14α,16Beta)-20-Ethyl-7,8-Dihydroxy-1,6,14,16-Tetramethoxyaconitan-4-Yl]Methyl 2-(2,5-Dioxo-1-Pyrrolidinyl)Benzoate
Properties
Property | Value |
---|---|
Formula | C36H49N2O10+ |
IUPAC Name | [(5alpha,14beta,16beta)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-(2,5-dioxo-1-pyrrolidinyl)benzoate |
Molecular Mass | 669.782 g·mol−1 |
Heat of Formation | 3647.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.44 ± 1.08 D |
Volume | 697.18 Å 3 |
Surface Area | 502.64 Å 2 |
HOMO Energy | -8.74 ± 0.55 eV |
LUMO Energy | -3.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | KFXVNXQXPRPLQA-JEUORDJTSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C O N |