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2-ACETAMIDO-4-S-(2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1,6-DI-O-ACETYL-3-O-BENZOYL-2-DEOXY-4-THIO-ALPHA-D-GLUCOPYRANOSE
SpectraBase Compound ID 6hClDRLr9YR
InChI InChI=1S/C48H48N2O16S/c1-27(51)49-37-41(66-46(58)34-23-15-8-16-24-34)42(36(26-59-29(3)53)62-47(37)61-30(4)54)67-48-38(50-28(2)52)40(65-45(57)33-21-13-7-14-22-33)39(64-44(56)32-19-11-6-12-20-32)35(63-48)25-60-43(55)31-17-9-5-10-18-31/h5-24,35-42,47-48H,25-26H2,1-4H3,(H,49,51)(H,50,52)/t35-,36-,37-,38-,39-,40-,41-,42-,47+,48+/m0/s1
InChIKey XUFVGNUPHBMBLR-MPWFVNFWSA-N
Mol Weight 941.0 g/mol
Molecular Formula C48H48N2O16S
Exact Mass 940.272455 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Itjf22FJpjk
Name 2-ACETAMIDO-4-S-(2-ACETAMIDO-3,4,6-TRI-O-BENZOYL-2-DEOXY-BETA-D-GLUCOPYRANOSYL)-1,6-DI-O-ACETYL-3-O-BENZOYL-2-DEOXY-4-THIO-ALPHA-D-GLUCOPYRANOSE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H48N2O16S
InChI InChI=1S/C48H48N2O16S/c1-27(51)49-37-41(66-46(58)34-23-15-8-16-24-34)42(36(26-59-29(3)53)62-47(37)61-30(4)54)67-48-38(50-28(2)52)40(65-45(57)33-21-13-7-14-22-33)39(64-44(56)32-19-11-6-12-20-32)35(63-48)25-60-43(55)31-17-9-5-10-18-31/h5-24,35-42,47-48H,25-26H2,1-4H3,(H,49,51)(H,50,52)/t35-,36-,37-,38-,39-,40-,41-,42-,47+,48+/m0/s1
InChIKey XUFVGNUPHBMBLR-MPWFVNFWSA-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 940.973 g/mol
Solvent CDCl3
Source File Reference UWCP9014