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2,2'-DIACETOXY-5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(2,4,6-TRIMETHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL
SpectraBase Compound ID 5HhWEKMTXyH
InChI InChI=1S/C52H68N2O10S2/c1-17-39-27-61-49(53(39)65(57,58)47-31(5)19-29(3)20-32(47)6)43-25-37(51(11,12)13)23-41(45(43)63-35(9)55)42-24-38(52(14,15)16)26-44(46(42)64-36(10)56)50-54(40(18-2)28-62-50)66(59,60)48-33(7)21-30(4)22-34(48)8/h19-26,39-40,49-50H,17-18,27-28H2,1-16H3/t39-,40-,49-,50-/m1/s1
InChIKey QPHFIMYTTOHJJA-SBISLXFHSA-N
Mol Weight 945.2 g/mol
Molecular Formula C52H68N2O10S2
Exact Mass 944.431539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4x0y1ksl30D
Name 2,2'-DIACETOXY-5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(2,4,6-TRIMETHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H68N2O10S2
InChI InChI=1S/C52H68N2O10S2/c1-17-39-27-61-49(53(39)65(57,58)47-31(5)19-29(3)20-32(47)6)43-25-37(51(11,12)13)23-41(45(43)63-35(9)55)42-24-38(52(14,15)16)26-44(46(42)64-36(10)56)50-54(40(18-2)28-62-50)66(59,60)48-33(7)21-30(4)22-34(48)8/h19-26,39-40,49-50H,17-18,27-28H2,1-16H3/t39-,40-,49-,50-/m1/s1
InChIKey QPHFIMYTTOHJJA-SBISLXFHSA-N
Literature Reference Author S.WUNNEMANN,R.FROEHLICH,D.HOPPE
Literature Reference Citation ORG.LETTERS,8,2455(2006)
Literature Reference DOI 10.1021/ol060528u
Molecular Weight 945.239 g/mol
Sample ID 59131
Solvent CDCl3