(1α,6α,14α,15α,16Beta)-20-Ethyl-13,15-Dihydroxy-1,6,8,16-Tetramethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C33H47NO9 |
IUPAC Name | (1alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-13,15-dihydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
Molecular Mass | 601.728 g·mol−1 |
Heat of Formation | -1456.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.43 ± 1.08 D |
Volume | 703.68 Å 3 |
Surface Area | 498.29 Å 2 |
HOMO Energy | -8.02 ± 0.55 eV |
LUMO Energy | 2.56 ± eV |
Point Group Symmetry | C1 |
InChIKey | WXQMJWAPTHUPHW-VBLIFJOSSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |