| SpectraBase Compound ID | L1jYyZtPLga |
|---|---|
| InChI | InChI=1S/C45H44N4O6/c1-26-32(19-21-42(50)51)38(46-36(26)23-40-34(28(3)44(54)48-40)17-15-30-11-7-5-8-12-30)25-39-33(20-22-43(52)53)27(2)37(47-39)24-41-35(29(4)45(55)49-41)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+,40-23-,41-24- |
| InChIKey | IGPVBLVTQQIJQD-QGFNXZSTSA-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 | LsJ48VMrCxc |
|---|---|
| Name | BILIRUBIN-XIII-ALPHA |
| Compound Number | 4 |
| 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)38(46-36(26)23-40-34(28(3)44(54)48-40)17-15-30-11-7-5-8-12-30)25-39-33(20-22-43(52)53)27(2)37(47-39)24-41-35(29(4)45(55)49-41)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+,40-23-,41-24- |
| InChIKey | IGPVBLVTQQIJQD-QGFNXZSTSA-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 | UWSI3342 |