(1α,14α,16Beta)-20-Ethyl-7,8,9-Trihydroxy-1,14,16-Trimethoxyaconitan-4-Yl 2-Acetamidobenzoate
Properties
Property | Value |
---|---|
Formula | C32H44N2O9 |
IUPAC Name | 20-ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-acetamidobenzoate |
Molecular Mass | 600.700 g·mol−1 |
Heat of Formation | -1566.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.88 ± 1.08 D |
Volume | 691.76 Å 3 |
Surface Area | 501.98 Å 2 |
HOMO Energy | -8.57 ± 0.55 eV |
LUMO Energy | 2.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | XTSVKUJYTUPYRJ-FUIAWOLXSA-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 |