(1α,3α,5Xi,6α,9Xi,10Xi,14α,15α,16Beta)-8-Acetoxy-20-Ethyl-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)Aconitan-14-Yl Benzoate

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Properties Simple | Detailed

Formula C22H35NO11
IUPAC Name aconitine
Molecular Mass 489.513 g·mol−1
Heat of Formation -1910.2 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 734.59 Å 3
Surface Area 509.29 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey XFSBVAOIAHNAPC-JAXYWOFSSA-N
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