[(5Xi,6β,7β,9Xi,14Alpha,16β)-20-Ethyl-7,8-Dihydroxy-1,6,14,16-Tetramethoxyaconitan-4-Yl]Methyl 2-Acetamidobenzoate

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Formula C34H48N2O9
IUPAC Name ajacine
Molecular Mass 628.753 g·mol−1
Heat of Formation -1523.3 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 733.59 Å 3
Surface Area 513.05 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey NUXFDCYXMLVOFU-KFDJXXITSA-N
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