(1α,5Xi,6α,9Xi,10α,13Xi,15α,16Beta)-8-Acetoxy-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C34H47NO10 |
IUPAC Name | (1alpha,5xi,6alpha,9xi,10alpha,13xi,15alpha,16beta)-8-acetoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
Molecular Mass | 629.738 g·mol−1 |
Heat of Formation | -1682.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.16 ± 1.08 D |
Volume | 731.29 Å 3 |
Surface Area | 502.61 Å 2 |
HOMO Energy | -8.22 ± 0.55 eV |
LUMO Energy | -0.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | PHASMOUKYDUAOZ-ALPRSEAFSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |