(1A,3A,6A,14A,15A,16B)-20-Ethyl-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitane-3,8,13,14,15-Pentol 8-Acetate 14-(4-Methoxybenzoate)

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Formula C35H49NO12
IUPAC Name (1a,3a,6a,14a,15a,16b)-20-ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol 8-acetate 14-(4-methoxybenzoate)
Molecular Mass 675.763 g·mol−1
Heat of Formation -2066.0 ± 16.7 kJ·mol−1
Dipole Moment 5.69 ± 1.08 D
Volume 767.23 Å 3
Surface Area 533.48 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey MGTJNQWIXFSPLC-DMCHUPBKSA-N
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