| SpectraBase Compound ID | 3ZltLOXixlG |
|---|---|
| InChI | InChI=1S/C41H38F2N4O6/c1-20-24(13-15-36(48)49)32(44-30(20)17-34-38(22(3)40(52)46-34)26-9-5-7-11-28(26)42)19-33-25(14-16-37(50)51)21(2)31(45-33)18-35-39(23(4)41(53)47-35)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)/b34-17-,35-18- |
| InChIKey | XZSSIDAMDVKYCV-LYZYYCFWSA-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 | 3ILX2g1Rl5I |
|---|---|
| Name | 3,17-DESVINYL-3,17-BIS-(ORTHO-FLUOROPHENYL)-BILIRUBIN-XIII-ALPHA |
| Compound Number | 2 |
| 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)32(44-30(20)17-34-38(22(3)40(52)46-34)26-9-5-7-11-28(26)42)19-33-25(14-16-37(50)51)21(2)31(45-33)18-35-39(23(4)41(53)47-35)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)/b34-17-,35-18- |
| InChIKey | XZSSIDAMDVKYCV-LYZYYCFWSA-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 |