8-Acetoxy-13,15-Dihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate

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Formula C33H45NO10
IUPAC Name (1alpha,6alpha,14beta,15alpha,16beta)-8-acetoxy-13,15-dihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
Molecular Mass 615.711 g·mol−1
Heat of Formation -1471.2 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 712.79 Å 3
Surface Area 484.51 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey FIDOCHXHMJHKRW-FBYRGYIKSA-N
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