(1α,14α,16Beta)-20-Ethyl-7,8,9-Trihydroxy-1,14,16-Trimethoxyaconitan-4-Yl 2-Acetamidobenzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C32H44N2O9
IUPAC Name 20-ethyl-7,8,9-trihydroxy-1,14,16-trimethoxyaconitan-4-yl 2-acetamidobenzoate
Molecular Mass 600.700 g·mol−1
Heat of Formation -1566.0 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 691.76 Å 3
Surface Area 501.98 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey XTSVKUJYTUPYRJ-FUIAWOLXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N