(20-Ethyl-7,8,14-Trihydroxy-1,6,16-Trimethoxyaconitan-4-Yl)Methyl 2-(3-Methyl-2,5-Dioxo-1-Pyrrolidinyl)Benzoate

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Formula C36H48N2O10
IUPAC Name [(1alpha,6beta,14alpha,16beta)-20-ethyl-7,8,14-trihydroxy-1,6,16-trimethoxyaconitan-4-yl]methyl 2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoate
Molecular Mass 668.774 g·mol−1
Heat of Formation -1702.6 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 768.76 Å 3
Surface Area 553.17 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey GFWYSOWSJXKFFQ-IPVNYRSLSA-N
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