(16β)-20-Ethyl-3,8,13,15-Tetrahydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C32H45NO10 |
IUPAC Name | (3alpha,6beta,14beta,15alpha,16beta)-20-ethyl-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate |
Molecular Mass | 603.700 g·mol−1 |
Heat of Formation | -1671.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.08 ± 1.08 D |
Volume | 688.63 Å 3 |
Surface Area | 494.43 Å 2 |
HOMO Energy | -8.62 ± 0.55 eV |
LUMO Energy | -0.49 ± eV |
Point Group Symmetry | C1 |
InChIKey | DHJXZSFKLJCHLH-YXAOWBTQSA-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 |