(5Xi,8Xi,9Xi,16β,17Xi)-3-Acetoxy-8-Ethoxy-20-Ethyl-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate

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Formula C36H51NO11
IUPAC Name (1alpha,3alpha,5xi,6alpha,9xi,10alpha,14alpha,15alpha,16beta,17xi)-3-acetoxy-8-ethoxy-20-ethyl-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl benzoate
Molecular Mass 673.790 g·mol−1
Heat of Formation -1676.7 ± 16.7 kJ·mol−1
Dipole Moment 5.29 ± 1.08 D
Volume 786.26 Å 3
Surface Area 551.4 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey DXAQZKJLRXMIFW-NNSXUSQFSA-N
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