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DCESBUJNVNTAPQ-UHFFFAOYSA-N

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DCESBUJNVNTAPQ-UHFFFAOYSA-N
SpectraBase Compound ID DAvsEQZr0kW
InChI InChI=1S/C54H50N2O4/c1-31-35(5)51-36(6)32(2)49(31)41-11-9-13-45(29-41)59-27-25-57-43-19-21-44(22-20-43)58-26-28-60-46-14-10-12-42(30-46)50-33(3)37(7)52(38(8)34(50)4)48-24-18-40-16-15-39-17-23-47(51)55-53(39)54(40)56-48/h9-24,29-30H,25-28H2,1-8H3
InChIKey DCESBUJNVNTAPQ-UHFFFAOYSA-N
Mol Weight 791.0 g/mol
Molecular Formula C54H50N2O4
Exact Mass 790.377058 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bj2ZUu0DNAU
Name DCESBUJNVNTAPQ-UHFFFAOYSA-N
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H50N2O4
InChI InChI=1S/C54H50N2O4/c1-31-35(5)51-36(6)32(2)49(31)41-11-9-13-45(29-41)59-27-25-57-43-19-21-44(22-20-43)58-26-28-60-46-14-10-12-42(30-46)50-33(3)37(7)52(38(8)34(50)4)48-24-18-40-16-15-39-17-23-47(51)55-53(39)54(40)56-48/h9-24,29-30H,25-28H2,1-8H3
InChIKey DCESBUJNVNTAPQ-UHFFFAOYSA-N
Literature Reference Author M.SCHMITTEL,A.GANZ,D.FENSKE
Literature Reference Citation ORG.LETTERS,4,2289(2002)
Literature Reference DOI 10.1021/ol025885t
Molecular Weight 791.002 g/mol
Solvent CDCl3
Source File Reference UWMZ25335