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MESO-8,12-BIS-[2-CARBOXY-2-(METHYL)-ETHYL]-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILIN-1,19-DIONE
SpectraBase Compound ID 94dT4DwbRvn
InChI InChI=1S/C35H44N4O6/c1-9-22-20(7)32(40)38-28(22)13-26-18(5)24(11-16(3)34(42)43)30(36-26)15-31-25(12-17(4)35(44)45)19(6)27(37-31)14-29-23(10-2)21(8)33(41)39-29/h13-14,16-17,36-37H,9-12,15H2,1-8H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/b28-13-,29-14-
InChIKey LQDGXDMDQACKGG-DRNSWBLSSA-N
Mol Weight 616.8 g/mol
Molecular Formula C35H44N4O6
Exact Mass 616.326085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2LM9wes8Psn
Name RAC-8,12-BIS-[2-CARBOXY-2-(METHYL)-ETHYL]-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-10H,21H,23H,24H-BILIN-1,19-DIONE
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H44N4O6
InChI InChI=1S/C35H44N4O6/c1-9-22-20(7)32(40)38-28(22)13-26-18(5)24(11-16(3)34(42)43)30(36-26)15-31-25(12-17(4)35(44)45)19(6)27(37-31)14-29-23(10-2)21(8)33(41)39-29/h13-14,16-17,36-37H,9-12,15H2,1-8H3,(H,38,40)(H,39,41)(H,42,43)(H,44,45)/b28-13-,29-14-
InChIKey LQDGXDMDQACKGG-DRNSWBLSSA-N
Literature Reference Author S.E.BOIADJIEV,D.A.LIGHTNER
Literature Reference Citation J.ORG.CHEM.,63,6220(1998)
Literature Reference DOI 10.1021/jo980740e
Molecular Weight 616.758 g/mol
Sample ID 37604
Solvent CDCl3