| SpectraBase Compound ID | KN9SYJgp4wU |
|---|---|
| InChI | InChI=1S/C45H44N4O6/c1-26-32(19-21-42(50)51)40(46-36(26)23-38-28(3)34(44(54)48-38)17-15-30-11-7-5-8-12-30)25-41-33(20-22-43(52)53)27(2)37(47-41)24-39-29(4)35(45(55)49-39)18-16-31-13-9-6-10-14-31/h5-18,23-24,46-47H,19-22,25H2,1-4H3,(H,48,54)(H,49,55)(H,50,51)(H,52,53)/b17-15+,18-16+,38-23-,39-24- |
| InChIKey | YNWGZHCWAJIVNG-KPJZNWLISA-N |
| Mol Weight | 736.9 g/mol |
| Molecular Formula | C45H44N4O6 |
| Exact Mass | 736.326085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Emn7nmnqo7 |
|---|---|
| Name | BILIRUBIN-III-ALPHA |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C45H44N4O6 |
| InChI | InChI=1S/C45H44N4O6/c1-26-32(19-21-42(50)51)40(46-36(26)23-38-28(3)34(44(54)48-38)17-15-30-11-7-5-8-12-30)25-41-33(20-22-43(52)53)27(2)37(47-41)24-39-29(4)35(45(55)49-39)18-16-31-13-9-6-10-14-31/h5-18,23-24,46-47H,19-22,25H2,1-4H3,(H,48,54)(H,49,55)(H,50,51)(H,52,53)/b17-15+,18-16+,38-23-,39-24- |
| InChIKey | YNWGZHCWAJIVNG-KPJZNWLISA-N |
| Literature Reference Author | J.O.BROWER,D.A.LIGHTNER |
| Literature Reference Citation | MH.CHEM.,132,1527(2001) |
| Literature Reference DOI | 10.1007/s007060170010 |
| Molecular Weight | 736.868 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI3341 |