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10-OXO-MESOBILIRUBIN-XIII-ALPHA
SpectraBase Compound ID 8nxLjcZU91f
InChI InChI=1S/C33H38N4O7/c1-7-19-17(5)32(43)36-25(19)13-23-15(3)21(9-11-27(38)39)29(34-23)31(42)30-22(10-12-28(40)41)16(4)24(35-30)14-26-20(8-2)18(6)33(44)37-26/h13-14,34-35H,7-12H2,1-6H3,(H,36,43)(H,37,44)(H,38,39)(H,40,41)/b25-13-,26-14-
InChIKey TXEORNZEVJLWMV-WFBNZKAHSA-N
Mol Weight 602.7 g/mol
Molecular Formula C33H38N4O7
Exact Mass 602.27405 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6Ma98zCLx4
Name 10-OXO-MESOBILIRUBIN-XIII-ALPHA
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H38N4O7
InChI InChI=1S/C33H38N4O7/c1-7-19-17(5)32(43)36-25(19)13-23-15(3)21(9-11-27(38)39)29(34-23)31(42)30-22(10-12-28(40)41)16(4)24(35-30)14-26-20(8-2)18(6)33(44)37-26/h13-14,34-35H,7-12H2,1-6H3,(H,36,43)(H,37,44)(H,38,39)(H,40,41)/b25-13-,26-14-
InChIKey TXEORNZEVJLWMV-WFBNZKAHSA-N
Literature Reference Author Q.CHEN,M.T.HUGGINS,D.A.LIGHTNER,W.NORONA,A.F.MCDONAGH
Literature Reference Citation J.AM.CHEM.SOC.,121,9253(1999)
Literature Reference DOI 10.1021/ja991814m
Molecular Weight 602.687 g/mol
Solvent DMSO-D6
Source File Reference UWSI927