Methyl 4-Acetoxy-3-Hydroxy-16-Methoxy-1-Methyl-6,7-Didehydroaspidospermidine-3-Carboxylate

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Formula C25H32N2O6
IUPAC Name methyl (1r,9r,10s,11r,12r,16s,19s)-11-acetoxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate
Molecular Mass 456.531 g·mol−1
Heat of Formation -860.5 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 529.57 Å 3
Surface Area 398.03 Å 2
HOMO Energy -7.78 ± 0.55 eV
LUMO Energy 3.77 ± eV
Point Group Symmetry C1
InChIKey CXBGOBGJHGGWIE-YHGKRWFNSA-N
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