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5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(4-METHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL
SpectraBase Compound ID IWWgRVS57D7
InChI InChI=1S/C44H56N2O8S2/c1-11-31-25-53-41(45(31)55(49,50)33-17-13-27(3)14-18-33)37-23-29(43(5,6)7)21-35(39(37)47)36-22-30(44(8,9)10)24-38(40(36)48)42-46(32(12-2)26-54-42)56(51,52)34-19-15-28(4)16-20-34/h13-24,31-32,41-42,47-48H,11-12,25-26H2,1-10H3/t31-,32-,41-,42-/m1/s1
InChIKey NLOQFTQRSAFWOA-GXAWFILRSA-N
Mol Weight 805.1 g/mol
Molecular Formula C44H56N2O8S2
Exact Mass 804.347809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXJrD3imhFz
Name 5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2R,4R)-4-ETHYL-3-(4-METHYLBENZENESULFONYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H56N2O8S2
InChI InChI=1S/C44H56N2O8S2/c1-11-31-25-53-41(45(31)55(49,50)33-17-13-27(3)14-18-33)37-23-29(43(5,6)7)21-35(39(37)47)36-22-30(44(8,9)10)24-38(40(36)48)42-46(32(12-2)26-54-42)56(51,52)34-19-15-28(4)16-20-34/h13-24,31-32,41-42,47-48H,11-12,25-26H2,1-10H3/t31-,32-,41-,42-/m1/s1
InChIKey NLOQFTQRSAFWOA-GXAWFILRSA-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 805.057 g/mol
Sample ID 59132
Solvent CDCl3