(1α,6α,7Beta,14α,16Beta)-8-Acetoxy-20-Ethyl-13-Hydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 4-Methoxybenzoate
Properties
Property | Value |
---|---|
Formula | C35H49NO10 |
IUPAC Name | (1alpha,14alpha,16beta)-8-acetoxy-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate |
Molecular Mass | 643.764 g·mol−1 |
Heat of Formation | -1695.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.06 ± 1.08 D |
Volume | 756.36 Å 3 |
Surface Area | 529.86 Å 2 |
HOMO Energy | -8.23 ± 0.55 eV |
LUMO Energy | 2.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | GAZDXIGXYWVWQX-IBOHHWAHSA-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 |