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#6A;(3AR,4AS,8AS,8BS)-REL-7-BENZYLSULFANYL-4-(4-CHLOROPHENYL)-2-PHENYL-3B,4A,8A,8B-TETRAHYDRO-1H-PYRROLO-[3',4':4,5]-1H-PYRROLO-[3,2-B]-PYRIDINE-1,3(2H)-DIONE

View entire compound with spectra: 1 NMR

#6A;(3AR,4AS,8AS,8BS)-REL-7-BENZYLSULFANYL-4-(4-CHLOROPHENYL)-2-PHENYL-3B,4A,8A,8B-TETRAHYDRO-1H-PYRROLO-[3',4':4,5]-1H-PYRROLO-[3,2-B]-PYRIDINE-1,3(2H)-DIONE
SpectraBase Compound ID KBFrj31X4xl
InChI InChI=1S/C28H22ClN3O2S/c29-19-11-13-21(14-12-19)31-22-15-16-23(35-17-18-7-3-1-4-8-18)30-25(22)24-26(31)28(34)32(27(24)33)20-9-5-2-6-10-20/h1-16,22,24-26H,17H2/t22-,24-,25+,26+/m1/s1
InChIKey BBWUWNPJTJUWID-BPHNFWMXSA-N
Mol Weight 500.02 g/mol
Molecular Formula C28H22ClN3O2S
Exact Mass 499.112126 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LC2aLWVP94k
Name #6A;(3AR,4AS,8AS,8BS)-REL-7-BENZYLSULFANYL-4-(4-CHLOROPHENYL)-2-PHENYL-3B,4A,8A,8B-TETRAHYDRO-1H-PYRROLO-[3',4':4,5]-1H-PYRROLO-[3,2-B]-PYRIDINE-1,3(2H)-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H22ClN3O2S
InChI InChI=1S/C28H22ClN3O2S/c29-19-11-13-21(14-12-19)31-22-15-16-23(35-17-18-7-3-1-4-8-18)30-25(22)24-26(31)28(34)32(27(24)33)20-9-5-2-6-10-20/h1-16,22,24-26H,17H2/t22-,24-,25+,26+/m1/s1
InChIKey BBWUWNPJTJUWID-BPHNFWMXSA-N
Literature Reference Author Z.RIEDL,P.KOEVER,T.S.G.HAJOS,O.EGYED,L.FABIAN,A.MESSMER
Literature Reference Citation J.ORG.CHEM.,68,5652(2003)
Literature Reference DOI 10.1021/jo034231a
Molecular Weight 500.015 g/mol
Solvent DMSO-D6
Source File Reference UWLU24239