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

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Formula C25H32N2O6
IUPAC Name methyl (3alpha,4beta,5alpha,12beta,19alpha)-4-acetoxy-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-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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