(1α,6α,14α,15α,16Beta)-20-Ethyl-13,15-Dihydroxy-1,6,8,16-Tetramethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate

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Formula C33H47NO9
IUPAC Name (1alpha,6alpha,14alpha,15alpha,16beta)-20-ethyl-13,15-dihydroxy-1,6,8,16-tetramethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
Molecular Mass 601.728 g·mol−1
Heat of Formation -1456.0 ± 16.7 kJ·mol−1
Dipole Moment 3.43 ± 1.08 D
Volume 703.68 Å 3
Surface Area 498.29 Å 2
HOMO Energy -8.02 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
InChIKey WXQMJWAPTHUPHW-VBLIFJOSSA-N
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