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(-)-(5S,11AS)-5-METHYL-2-(4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]-BUTYL)-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO-[1',5':1,6]-PYRIDO-[3,4-B]-INDOLE-1,3(2H)-DIONE

View entire compound with spectra: 1 NMR

(-)-(5S,11AS)-5-METHYL-2-(4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]-BUTYL)-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO-[1',5':1,6]-PYRIDO-[3,4-B]-INDOLE-1,3(2H)-DIONE
SpectraBase Compound ID A7nTbQ1HgPW
InChI InChI=1S/C26H31N7O2/c1-18-23-20(19-7-2-3-8-21(19)29-23)17-22-24(34)32(26(35)33(18)22)12-5-4-11-30-13-15-31(16-14-30)25-27-9-6-10-28-25/h2-3,6-10,18,22,29H,4-5,11-17H2,1H3/t18-,22?/m1/s1
InChIKey WCKKKEJKJMBBGH-ZZWBGTBQSA-N
Mol Weight 473.58 g/mol
Molecular Formula C26H31N7O2
Exact Mass 473.253923 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 63uNTuwD6s7
Name (-)-(5S,11AS)-5-METHYL-2-(4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]-BUTYL)-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO-[1',5':1,6]-PYRIDO-[3,4-B]-INDOLE-1,3(2H)-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H31N7O2
InChI InChI=1S/C26H31N7O2/c1-18-23-20(19-7-2-3-8-21(19)29-23)17-22-24(34)32(26(35)33(18)22)12-5-4-11-30-13-15-31(16-14-30)25-27-9-6-10-28-25/h2-3,6-10,18,22,29H,4-5,11-17H2,1H3/t18-,22?/m1/s1
InChIKey WCKKKEJKJMBBGH-ZZWBGTBQSA-N
Literature Reference Author P.DEMIGUEL,N.MARTIN,M.F.BRANA
Literature Reference Citation J.HETCYCL.CHEM.,31,1235(1994)
Literature Reference DOI 10.1002/jhet.5570310521
Molecular Weight 473.578 g/mol
Solvent DMSO-D6
Source File Reference UWCS22349