(1α,3α,6α,14α,16Beta)-8-Acetoxy-3,13,15-Trihydroxy-1,6,16-Trimethoxy-4-(Methoxymethyl)-20-Methylaconitan-14-Yl Benzoate

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Formula C33H45NO11
IUPAC Name (1alpha,3alpha,6alpha,14alpha,16beta)-8-acetoxy-3,13,15-trihydroxy-1,6,16-trimethoxy-4-(methoxymethyl)-20-methylaconitan-14-yl benzoate
Molecular Mass 631.710 g·mol−1
Heat of Formation -1869.2 ± 16.7 kJ·mol−1
Dipole Moment 6.32 ± 1.08 D
Volume 714.3 Å 3
Surface Area 491.57 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
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  • 8
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InChIKey XUHJBXVYNBQQBD-GQPWXMLZSA-N
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