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2-ACETAMIDO-1,6-ANHYDRO-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSYL]-
SpectraBase Compound ID H4NPMkh0YtV
InChI InChI=1S/C45H41Cl3N2O14S/c1-25(51)49-32-36(64-41(55)29-20-12-5-13-21-29)37(31-23-58-42(32)60-31)65-43-33(50-44(56)59-24-45(46,47)48)35(63-40(54)28-18-10-4-11-19-28)34(62-39(53)27-16-8-3-9-17-27)30(61-43)22-57-38(52)26-14-6-2-7-15-26/h2-21,30-37,42-43H,22-24H2,1H3,(H,49,51)(H,50,56)/t30-,31?,32-,33-,34-,35-,36-,37-,42?,43+/m1/s1
InChIKey PREDIMWBKQISLG-UFOKRSFUSA-N
Mol Weight 972.2 g/mol
Molecular Formula C45H41Cl3N2O14S
Exact Mass 970.134408 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FTxShIVK2SI
Name 2-ACETAMIDO-1,6-ANHYDRO-3-O-BENZOYL-2-DEOXY-4-THIO-4-S-[3,4,6-TRI-O-BENZOYL-2-DEOXY-2-(2,2,2-TRICHLOROETHOXYCARBONYLAMINO)-BETA-D-GLUCOPYRANOSYL]-
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C45H41Cl3N2O14S
InChI InChI=1S/C45H41Cl3N2O14S/c1-25(51)49-32-36(64-41(55)29-20-12-5-13-21-29)37(31-23-58-42(32)60-31)65-43-33(50-44(56)59-24-45(46,47)48)35(63-40(54)28-18-10-4-11-19-28)34(62-39(53)27-16-8-3-9-17-27)30(61-43)22-57-38(52)26-14-6-2-7-15-26/h2-21,30-37,42-43H,22-24H2,1H3,(H,49,51)(H,50,56)/t30-,31?,32-,33-,34-,35-,36-,37-,42?,43+/m1/s1
InChIKey PREDIMWBKQISLG-UFOKRSFUSA-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 972.245 g/mol
Solvent CDCl3
Source File Reference UWCP9016