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MESOBILIRUBIN-XIII-ALPHA

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MESOBILIRUBIN-XIII-ALPHA
SpectraBase Compound ID EZtMfRUcJy
InChI InChI=1S/C33H40N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)33(43)37-27/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey PSUYEWBLPHMDMK-IFADSCNNSA-N
Mol Weight 588.7 g/mol
Molecular Formula C33H40N4O6
Exact Mass 588.294785 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 94eUEz1T2P
Name MESOBILIRUBIN-XIII-ALPHA;8,12-BSI-(2-CARBOXY-ETHYL)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILINE-1,19-DIONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H40N4O6
InChI InChI=1S/C33H40N4O6/c1-7-20-18(5)32(42)36-26(20)13-24-16(3)22(9-11-30(38)39)28(34-24)15-29-23(10-12-31(40)41)17(4)25(35-29)14-27-21(8-2)19(6)33(43)37-27/h13-14,34-35H,7-12,15H2,1-6H3,(H,36,42)(H,37,43)(H,38,39)(H,40,41)/b26-13-,27-14-
InChIKey PSUYEWBLPHMDMK-IFADSCNNSA-N
Literature Reference Author S.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,62,399(1997)
Literature Reference DOI 10.1021/jo961503j
Molecular Weight 588.704 g/mol
Solvent DMSO-D6
Source File Reference UWCS23133