(5Xi,8Xi,9Xi,16β,17Xi)-3-Acetoxy-8-Ethoxy-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C36H31NO11
IUPAC Name (5xi,8xi,9xi,16beta,17xi)-3-acetoxy-8-ethoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
Molecular Mass 653.631 g·mol−1
Heat of Formation 2233.0 ± 16.7 kJ·mol−1
Dipole Moment 3.06 ± 1.08 D
Volume 567.1 Å 3
Surface Area 413.16 Å 2
Point Group Symmetry C1
InChIKey DXAQZKJLRXMIFW-GQRBCCOWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N