| SpectraBase Compound ID | 8PmK9JoazQB |
|---|---|
| InChI | InChI=1S/C33H38N4O6/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/h7,13-15,19,35H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13-,27-14-,28-15- |
| InChIKey | INPDFIMLLXXDOQ-ZZEPTHGGSA-N |
| Mol Weight | 586.7 g/mol |
| Molecular Formula | C33H38N4O6 |
| Exact Mass | 586.279135 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JgfWB5560yC |
|---|---|
| Name | PCB;PHYCOCYANOBILIN |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H38N4O6 |
| InChI | InChI=1S/C33H38N4O6/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/h7,13-15,19,35H,8-12H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b20-7+,26-13-,27-14-,28-15- |
| InChIKey | INPDFIMLLXXDOQ-ZZEPTHGGSA-N |
| Literature Reference Author | M.ROEBEN,P.SCHMIEDER |
| Literature Reference Citation | MAGN.RES.CHEM.,49,543(2011) |
| Molecular Weight | 586.688 g/mol |
| Solvent | D18-HMPT |
| Source File Reference | UWBT12995 |