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(2.beta.,3.alpha.,12b.alpha.)-2-(1,3-Dimethyl-2,4,6-trioxopyrimidin-5-yl)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(2.beta.,3.alpha.,12b.alpha.)-2-(1,3-Dimethyl-2,4,6-trioxopyrimidin-5-yl)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
SpectraBase Compound ID MvFFmryMVD
InChI InChI=1S/C23H28N4O3/c1-4-13-12-27-10-9-15-14-7-5-6-8-17(14)24-20(15)18(27)11-16(13)19-21(28)25(2)23(30)26(3)22(19)29/h5-8,13,16,18-19,24H,4,9-12H2,1-3H3/t13-,16-,18-/m0/s1
InChIKey AQHNTGADKPVSID-OWQGQXMQSA-N
Mol Weight 408.5 g/mol
Molecular Formula C23H28N4O3
Exact Mass 408.216141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ADf3n01xENi
Name (2.beta.,3.alpha.,12B.alpha.)-2-(1,3-Dimethyl-2,4,6-trioxopyrimidin-5-yl)-3-ethyl-1,2,3,4,6,7,12,12B-octahydroindolo[2,3-A]quinolizine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.216140775 u
Formula C23H28N4O3
InChI InChI=1S/C23H28N4O3/c1-4-13-12-27-10-9-15-14-7-5-6-8-17(14)24-20(15)18(27)11-16(13)19-21(28)25(2)23(30)26(3)22(19)29/h5-8,13,16,18-19,24H,4,9-12H2,1-3H3/t13-,16-,18-/m0/s1
InChIKey AQHNTGADKPVSID-OWQGQXMQSA-N
Molecular Weight 408.502 g/mol
SMILES C1(N(C(C(C(N1C)=O)[C@]1(C[C@]2(C3=C(C=4C=CC=CC4N3)CCN2C[C@@]1(CC)[H])[H])[H])=O)C)=O