Methyl 1-Acetyl-17-Methoxyaspidospermidin-21-Oate

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Properties Simple | Detailed

Formula C23H30N2O4
IUPAC Name methyl 2-[(1r,9r,12r,16r,19r)-8-acetyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl]acetate
Molecular Mass 398.495 g·mol−1
Heat of Formation -626.9 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 481.01 Å 3
Surface Area 369.39 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
InChIKey KUIPLVUMWWQJEH-RLLPEYFOSA-N
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