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XGRKIONIFITXCT-UHFFFAOYSA-N

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XGRKIONIFITXCT-UHFFFAOYSA-N
SpectraBase Compound ID 3lzPXy2T0Vc
InChI InChI=1S/C57H50N10/c1-7-19-46(20-8-1)56(47-21-9-2-10-22-47,48-23-11-3-12-24-48)58-41-39-54-60-62-64-66(54)52-35-31-44(32-36-52)43-45-33-37-53(38-34-45)67-55(61-63-65-67)40-42-59-57(49-25-13-4-14-26-49,50-27-15-5-16-28-50)51-29-17-6-18-30-51/h1-38,58-59H,39-43H2
InChIKey XGRKIONIFITXCT-UHFFFAOYSA-N
Mol Weight 875.1 g/mol
Molecular Formula C57H50N10
Exact Mass 874.421992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CUOGtDLNQ9p
Name XGRKIONIFITXCT-UHFFFAOYSA-N
Compound Number 36
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C57H50N10
InChI InChI=1S/C57H50N10/c1-7-19-46(20-8-1)56(47-21-9-2-10-22-47,48-23-11-3-12-24-48)58-41-39-54-60-62-64-66(54)52-35-31-44(32-36-52)43-45-33-37-53(38-34-45)67-55(61-63-65-67)40-42-59-57(49-25-13-4-14-26-49,50-27-15-5-16-28-50)51-29-17-6-18-30-51/h1-38,58-59H,39-43H2
InChIKey XGRKIONIFITXCT-UHFFFAOYSA-N
Literature Reference Author C.M.ATHANASSOPOULOS,T.GARNELIS,D.VAHLIOTIS,D.PAPAIOANNOU
Literature Reference Citation ORG.LETTERS,7,561(2005)
Literature Reference DOI 10.1021/ol0477069
Molecular Weight 875.091 g/mol
Sample ID 42136
Solvent CDCl3