(1α,3α,6α,14Beta,15α,16Beta,17S)-3,8,13,15-Tetrahydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

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
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N