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N-4-(AMINOSULFONYL)-BENZYL-S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-SULFONAMIDE
SpectraBase Compound ID GVuCLavjfKp
InChI InChI=1S/C21H28N2O13S2/c1-11(24)32-10-17-18(33-12(2)25)19(34-13(3)26)20(35-14(4)27)21(36-17)38(30,31)23-9-15-5-7-16(8-6-15)37(22,28)29/h5-8,17-21,23H,9-10H2,1-4H3,(H2,22,28,29)/t17-,18-,19+,20-,21+/m0/s1
InChIKey MXAPIXKSJFQENZ-JRSUCEMESA-N
Mol Weight 580.58 g/mol
Molecular Formula C21H28N2O13S2
Exact Mass 580.103281 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JinOEQirDYV
Name N-4-(AMINOSULFONYL)-BENZYL-S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-SULFONAMIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H28N2O13S2
InChI InChI=1S/C21H28N2O13S2/c1-11(24)32-10-17-18(33-12(2)25)19(34-13(3)26)20(35-14(4)27)21(36-17)38(30,31)23-9-15-5-7-16(8-6-15)37(22,28)29/h5-8,17-21,23H,9-10H2,1-4H3,(H2,22,28,29)/t17-,18-,19+,20-,21+/m0/s1
InChIKey MXAPIXKSJFQENZ-JRSUCEMESA-N
Literature Reference Author M.LOPEZ,L.F.BORNAGHI,A.INNOCENTI,D.VULLO,S.A.CHARMAN,C.T.SUP URAN,S.A.POULSEN
Literature Reference Citation J.MED.CHEM.,53,2913(2010)
Literature Reference DOI 10.1021/jm901888x
Molecular Weight 580.579 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46603