(1α,3α,6α,14Beta,15α,16Beta,17S)-3,8,13,15-Tetrahydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate
Properties
Property | Value |
---|---|
Formula | C31H43NO10 |
IUPAC Name | (1alpha,3alpha,6alpha,14beta,15alpha,16beta,17s)-3,8,13,15-tetrahydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate |
Molecular Mass | 589.674 g·mol−1 |
Heat of Formation | -1653.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.41 ± 1.08 D |
Volume | 674.04 Å 3 |
Surface Area | 485.56 Å 2 |
HOMO Energy | -8.68 ± 0.55 eV |
LUMO Energy | -0.65 ± eV |
Point Group Symmetry | C1 |
InChIKey | PULWZCUZNRVAHT-LOCDBSKESA-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 |