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#24;PHENYL-2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-(1->3)-O-4,6-O-BENZILIDENE-2-DEOXY-1-THIO-2-(2,2,2-TRICHLOROETHOXYCARBONYL-AMINO)-BETA-D-GLUCOPYRANOS
SpectraBase Compound ID 4RhsKGoW7vU
InChI InChI=1S/C36H40Cl3NO15S/c1-18(41)46-15-24-28(49-19(2)42)30(50-20(3)43)31(51-21(4)44)33(52-24)55-29-26(40-35(45)48-17-36(37,38)39)34(56-23-13-9-6-10-14-23)53-25-16-47-32(54-27(25)29)22-11-7-5-8-12-22/h5-14,24-34H,15-17H2,1-4H3,(H,40,45)/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34-/m1/s1
InChIKey OPDAFCXLUDGLDA-QPDAUWIOSA-N
Mol Weight 865.1 g/mol
Molecular Formula C36H40Cl3NO15S
Exact Mass 863.118424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Z5Q7PWUPqe
Name #24;PHENYL-2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL-(1->3)-O-4,6-O-BENZILIDENE-2-DEOXY-1-THIO-2-(2,2,2-TRICHLOROETHOXYCARBONYL-AMINO)-BETA-D-GLUCOPYRANOS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H40Cl3NO15S
InChI InChI=1S/C36H40Cl3NO15S/c1-18(41)46-15-24-28(49-19(2)42)30(50-20(3)43)31(51-21(4)44)33(52-24)55-29-26(40-35(45)48-17-36(37,38)39)34(56-23-13-9-6-10-14-23)53-25-16-47-32(54-27(25)29)22-11-7-5-8-12-22/h5-14,24-34H,15-17H2,1-4H3,(H,40,45)/t24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34-/m1/s1
InChIKey OPDAFCXLUDGLDA-QPDAUWIOSA-N
Literature Reference Author D.BENITO-ALIFONSO,R.A.JONES,A.T.TRAN,H.WOODWARD,N.SMITH,M.V. GALAN
Literature Reference Citation BEIL.J.ORG.CHEM.,9,1867(2013)
Literature Reference DOI 10.3762/bjoc.9.218
Molecular Weight 865.130 g/mol
Solvent CDCl3
Source File Reference UWLU77519