[(1α,6Beta,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 C36H49N2O10+
IUPAC Name [(5alpha,14beta,16beta)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl 2-(2,5-dioxo-1-pyrrolidinyl)benzoate
Molecular Mass 669.782 g·mol−1
Heat of Formation 3647.0 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 697.18 Å 3
Surface Area 502.64 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -3.07 ± eV
Point Group Symmetry C1
InChIKey KFXVNXQXPRPLQA-JEUORDJTSA-N
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