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Aspidospermidine, 17,21-dimethoxy-1-(1-oxopropyl)-, (.+-.)-
SpectraBase Compound ID BDnx3hPzhXU
InChI InChI=1S/C24H34N2O3/c1-4-20(27)26-19-9-11-23(13-16-28-2)10-6-14-25-15-12-24(19,22(23)25)17-7-5-8-18(29-3)21(17)26/h5,7-8,19,22H,4,6,9-16H2,1-3H3/t19-,22-,23-,24-/m1/s1
InChIKey BEIDSZCUOSOOIW-OTUUDDROSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H34N2O3
Exact Mass 398.256943 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ib0oHVUafdQ
Name Aspidospermidine, 17,21-dimethoxy-1-(1-oxopropyl)-, (.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 398.256942960 u
Formula C24H34N2O3
InChI InChI=1S/C24H34N2O3/c1-4-20(27)26-19-9-11-23(13-16-28-2)10-6-14-25-15-12-24(19,22(23)25)17-7-5-8-18(29-3)21(17)26/h5,7-8,19,22H,4,6,9-16H2,1-3H3/t19-,22-,23-,24-/m1/s1
InChIKey BEIDSZCUOSOOIW-OTUUDDROSA-N
Molecular Weight 398.547 g/mol
SMILES [C@@]123[C@](N(C(=O)CC)C=4C3=CC=CC4OC)(CC[C@@]3([C@]2(N(CCC3)CC1)[H])CCOC)[H]