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(+)-(5S,11AR)-5-PHENYL-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,11AR)-5-PHENYL-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 6tgqdelyqhz
InChI InChI=1S/C31H33N7O2/c39-29-26-21-24-23-11-4-5-12-25(23)34-27(24)28(22-9-2-1-3-10-22)38(26)31(40)37(29)16-7-6-15-35-17-19-36(20-18-35)30-32-13-8-14-33-30/h1-5,8-14,26,28,34H,6-7,15-21H2/t26?,28-/m1/s1
InChIKey PYAJCDJRHVWKSQ-SVNIRARHSA-N
Mol Weight 535.7 g/mol
Molecular Formula C31H33N7O2
Exact Mass 535.269573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nMPD1At8SE
Name (+)-(5S,11AR)-5-PHENYL-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 C31H33N7O2
InChI InChI=1S/C31H33N7O2/c39-29-26-21-24-23-11-4-5-12-25(23)34-27(24)28(22-9-2-1-3-10-22)38(26)31(40)37(29)16-7-6-15-35-17-19-36(20-18-35)30-32-13-8-14-33-30/h1-5,8-14,26,28,34H,6-7,15-21H2/t26?,28-/m1/s1
InChIKey PYAJCDJRHVWKSQ-SVNIRARHSA-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 535.649 g/mol
Solvent DMSO-D6
Source File Reference UWCS22350