(1α,3α,6α,14α,16Beta)-8-Ethoxy-20-Ethyl-3,13-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl 3,4-Dimethoxybenzoate

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Formula C36H53NO11
IUPAC Name (1alpha,3alpha,6alpha,14alpha,16beta)-8-ethoxy-20-ethyl-3,13-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)aconitan-14-yl 3,4-dimethoxybenzoate
Molecular Mass 675.806 g·mol−1
Heat of Formation -1651.8 ± 16.7 kJ·mol−1
Dipole Moment 6.90 ± 1.08 D
Volume 791.05 Å 3
Surface Area 561.83 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey YIVSWIKKWQABGU-HZKWNRCISA-N
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