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METHYL_N-4-(AMINOSULFONYL)-BENZYL-S-(2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANURONOYL)-SULFONAMIDE
SpectraBase Compound ID 3ODMwlbXQYC
InChI InChI=1S/C20H26N2O13S2/c1-10(23)32-15-16(33-11(2)24)18(34-12(3)25)20(35-17(15)19(26)31-4)37(29,30)22-9-13-5-7-14(8-6-13)36(21,27)28/h5-8,15-18,20,22H,9H2,1-4H3,(H2,21,27,28)/t15-,16-,17-,18+,20-/m1/s1
InChIKey ODMUJFGBISHBRE-YFYQMDMQSA-N
Mol Weight 566.55 g/mol
Molecular Formula C20H26N2O13S2
Exact Mass 566.087631 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1c97RoSfno
Name METHYL_N-4-(AMINOSULFONYL)-BENZYL-S-(2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANURONOYL)-SULFONAMIDE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26N2O13S2
InChI InChI=1S/C20H26N2O13S2/c1-10(23)32-15-16(33-11(2)24)18(34-12(3)25)20(35-17(15)19(26)31-4)37(29,30)22-9-13-5-7-14(8-6-13)36(21,27)28/h5-8,15-18,20,22H,9H2,1-4H3,(H2,21,27,28)/t15-,16-,17-,18+,20-/m1/s1
InChIKey ODMUJFGBISHBRE-YFYQMDMQSA-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 566.552 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46614