SpectraBase Compound ID | HQyguRL96XI |
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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)/b26-13+,27-14+ |
InChIKey | BPYKTIZUTYGOLE-BMNRKXRESA-N |
Mol Weight | 584.7 g/mol |
Molecular Formula | C33H36N4O6 |
Exact Mass | 584.263485 g/mol |
SpectraBase Spectrum ID | HpbJwAJwkPC |
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Name | Bilirubin ix.alpha. |
CAS Registry Number | 635-65-4 |
Comments | reassigned |
Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
Formula | C33H36N4O6 |
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)/b26-13+,27-14+ |
InChIKey | BPYKTIZUTYGOLE-BMNRKXRESA-N |
Instrument Name | Bruker WH-270 |
Literature Reference | D. Kaplan, G. Navon, Org. Magn. Resonance 13, 59 (1980). |
NMR Standard | DMSO-D6 |
Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
Solvent | DMSO-D6 |