| SpectraBase Compound ID | HQyguRL96XI |
|---|---|
| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6R7aizDuzTR |
|---|---|
| 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 | 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 |