[(1α,5Xi,6Beta,9Xi,10Xi,14α,16Beta)-20-Ethyl-7,8-Dihydroxy-1,6,14,16-Tetramethoxyaconitan-4-Yl]Methyl 2-(2,5-Dioxo-1-Pyrrolidinyl)Benzoate

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Formula C36H32N2O10
IUPAC Name [(1alpha,5xi,6beta,9xi,10xi,14alpha,16beta)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-(2,5-dioxo-1-pyrrolidinyl)benzoate
Molecular Mass 652.647 g·mol−1
Heat of Formation 4169.9 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 720.11 Å 3
Surface Area 547.25 Å 2
HOMO Energy -8.07 ± 0.55 eV
LUMO Energy -2.87 ± eV
Point Group Symmetry C1
InChIKey KFXVNXQXPRPLQA-DYPQZYIQSA-O
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