| SpectraBase Compound ID | 5uqCSqA0ZGM |
|---|---|
| InChI | InChI=1S/C41H38F2N4O6/c1-20-24(13-15-36(48)49)34(44-30(20)17-32-22(3)38(40(52)46-32)26-9-5-7-11-28(26)42)19-35-25(14-16-37(50)51)21(2)31(45-35)18-33-23(4)39(41(53)47-33)27-10-6-8-12-29(27)43/h5-12,17-18,44-45H,13-16,19H2,1-4H3,(H,46,52)(H,47,53)(H,48,49)(H,50,51)/b32-17-,33-18- |
| InChIKey | BSVRRASLEHGVTK-OKEIQFEWSA-N |
| Mol Weight | 720.8 g/mol |
| Molecular Formula | C41H38F2N4O6 |
| Exact Mass | 720.275941 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9vFQm7WOiQw |
|---|---|
| Name | 2,18-DESVINYL-2,18-BIS-(ORTHO-FLUOROPHENYL)-BILIRUBIN-III-ALPHA |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C41H38F2N4O6 |
| InChI | InChI=1S/C41H38F2N4O6/c1-20-24(13-15-36(48)49)34(44-30(20)17-32-22(3)38(40(52)46-32)26-9-5-7-11-28(26)42)19-35-25(14-16-37(50)51)21(2)31(45-35)18-33-23(4)39(41(53)47-33)27-10-6-8-12-29(27)43/h5-12,17-18,44-45H,13-16,19H2,1-4H3,(H,46,52)(H,47,53)(H,48,49)(H,50,51)/b32-17-,33-18- |
| InChIKey | BSVRRASLEHGVTK-OKEIQFEWSA-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 | 720.773 g/mol |
| Solvent | DMSO-D6 |