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5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(2,4,6-TRIMETHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL

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5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(2,4,6-TRIMETHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL
SpectraBase Compound ID 8CtA2zFik7T
InChI InChI=1S/C48H64N2O8S2/c1-15-35-25-57-45(49(35)59(53,54)43-29(5)17-27(3)18-30(43)6)39-23-33(47(9,10)11)21-37(41(39)51)38-22-34(48(12,13)14)24-40(42(38)52)46-50(36(16-2)26-58-46)60(55,56)44-31(7)19-28(4)20-32(44)8/h17-24,35-36,45-46,51-52H,15-16,25-26H2,1-14H3/t35-,36-,45-,46-/m1/s1
InChIKey YQAUCDGOLYQPAD-MNZXOXKBSA-N
Mol Weight 861.2 g/mol
Molecular Formula C48H64N2O8S2
Exact Mass 860.410409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fz9u5QEA6MS
Name 5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(2,4,6-TRIMETHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL
Compound Number 8F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H64N2O8S2
InChI InChI=1S/C48H64N2O8S2/c1-15-35-25-57-45(49(35)59(53,54)43-29(5)17-27(3)18-30(43)6)39-23-33(47(9,10)11)21-37(41(39)51)38-22-34(48(12,13)14)24-40(42(38)52)46-50(36(16-2)26-58-46)60(55,56)44-31(7)19-28(4)20-32(44)8/h17-24,35-36,45-46,51-52H,15-16,25-26H2,1-14H3/t35-,36-,45-,46-/m1/s1
InChIKey YQAUCDGOLYQPAD-MNZXOXKBSA-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 861.165 g/mol
Sample ID 59137
Solvent CDCl3