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5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-(1-METHYLETHYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL

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5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-(1-METHYLETHYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL
SpectraBase Compound ID HBOUWeTPLVX
InChI InChI=1S/C46H60N2O8S2/c1-27(2)39-25-55-43(47(39)57(51,52)33-17-13-29(5)14-18-33)37-23-31(45(7,8)9)21-35(41(37)49)36-22-32(46(10,11)12)24-38(42(36)50)44-48(40(26-56-44)28(3)4)58(53,54)34-19-15-30(6)16-20-34/h13-24,27-28,39-40,43-44,49-50H,25-26H2,1-12H3/t39-,40-,43+,44+/m1/s1
InChIKey JIUOEHWZCHCERR-RRHZFJGQSA-N
Mol Weight 833.1 g/mol
Molecular Formula C46H60N2O8S2
Exact Mass 832.379109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C8LrKgIKF0l
Name 5,5'-DI-TERT.-BUTYL-3,3'-BIS-[(2S,4S)-3-(4-METHYLBENZENESULFONYL)-4-(1-METHYLETHYL)-1,3-OXAZOLIDINYL]-BIPHENYL-2,2'-DIOL
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C46H60N2O8S2
InChI InChI=1S/C46H60N2O8S2/c1-27(2)39-25-55-43(47(39)57(51,52)33-17-13-29(5)14-18-33)37-23-31(45(7,8)9)21-35(41(37)49)36-22-32(46(10,11)12)24-38(42(36)50)44-48(40(26-56-44)28(3)4)58(53,54)34-19-15-30(6)16-20-34/h13-24,27-28,39-40,43-44,49-50H,25-26H2,1-12H3/t39-,40-,43+,44+/m1/s1
InChIKey JIUOEHWZCHCERR-RRHZFJGQSA-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 833.111 g/mol
Sample ID 59133
Solvent CDCl3