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Bilirubin ix.alpha. dianion
SpectraBase Compound ID HQyhX9fkaAK
InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13+,27-14+
InChIKey BPYKTIZUTYGOLE-BMNRKXRESA-L
Mol Weight 582.7 g/mol
Molecular Formula C33H34N4O6
Exact Mass 582.247835 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3IbIbBW281
Name Bilirubin ix.alpha. dianion
Comments 2 M KOH.ADDED REASSIGNED (W.B.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C33H34N4O6
InChI InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/p-2/b26-13+,27-14+
InChIKey BPYKTIZUTYGOLE-BMNRKXRESA-L
Instrument Name Varian XL-100
Literature Reference P.E. Hansen, H. Thiessen, R. Brodersen, Acta Chem. Scand. B33, 281 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6