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2-ACETAMIDO-1,6-DI-O-ACETYL-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOS

View entire compound with spectra: 1 NMR

2-ACETAMIDO-1,6-DI-O-ACETYL-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOS
SpectraBase Compound ID 9QDy17iqGQB
InChI InChI=1S/C49H47Cl3N2O17S/c1-27(55)53-36-40(71-45(61)33-22-14-7-15-23-33)41(35(25-63-28(2)56)67-46(36)66-29(3)57)72-47-37(54-48(62)65-26-49(50,51)52)39(70-44(60)32-20-12-6-13-21-32)38(69-43(59)31-18-10-5-11-19-31)34(68-47)24-64-42(58)30-16-8-4-9-17-30/h4-23,34-41,46-47H,24-26H2,1-3H3,(H,53,55)(H,54,62)/t34-,35-,36-,37-,38-,39-,40-,41-,46+,47+/m1/s1
InChIKey VXSGZHLALPRJJE-BEHJZZETSA-N
Mol Weight 1074.3 g/mol
Molecular Formula C49H47Cl3N2O17S
Exact Mass 1072.166102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D3SWCaS07SQ
Name 2-ACETAMIDO-1,6-DI-O-ACETYL-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOS
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C49H47Cl3N2O17S
InChI InChI=1S/C49H47Cl3N2O17S/c1-27(55)53-36-40(71-45(61)33-22-14-7-15-23-33)41(35(25-63-28(2)56)67-46(36)66-29(3)57)72-47-37(54-48(62)65-26-49(50,51)52)39(70-44(60)32-20-12-6-13-21-32)38(69-43(59)31-18-10-5-11-19-31)34(68-47)24-64-42(58)30-16-8-4-9-17-30/h4-23,34-41,46-47H,24-26H2,1-3H3,(H,53,55)(H,54,62)/t34-,35-,36-,37-,38-,39-,40-,41-,46+,47+/m1/s1
InChIKey VXSGZHLALPRJJE-BEHJZZETSA-N
Literature Reference Author F.I.AUZANNEAU,K.BENNIS,E.FANTON,D.PROME,J.DEFAYE,J.GELAS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3629(1998)
Literature Reference DOI 10.1039/a802932f
Molecular Weight 1074.334 g/mol
Solvent CDCl3
Source File Reference UWCP9013