(1α,6α,7Beta,14α,16Beta)-8-Acetoxy-20-Ethyl-13-Hydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 4-Methoxybenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C35H49NO10
IUPAC Name (1alpha,14alpha,16beta)-8-acetoxy-20-ethyl-13-hydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 4-methoxybenzoate
Molecular Mass 643.764 g·mol−1
Heat of Formation -1695.9 ± 16.7 kJ·mol−1
Dipole Moment 5.06 ± 1.08 D
Volume 756.36 Å 3
Surface Area 529.86 Å 2
HOMO Energy -8.23 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey GAZDXIGXYWVWQX-IBOHHWAHSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N