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N-4-(AMINOSULFONYL)-PHENETHYL-S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-SULFENAMIDE
SpectraBase Compound ID LJz9CE4ib0J
InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/m0/s1
InChIKey LOAPLXPIJMQWJM-BIRZXAFVSA-N
Mol Weight 562.61 g/mol
Molecular Formula C22H30N2O11S2
Exact Mass 562.129102 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9nVbOGTb9HK
Name N-4-(AMINOSULFONYL)-PHENETHYL-S-(2,3,4,6-TETRA-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSYL)-SULFENAMIDE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H30N2O11S2
InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/m0/s1
InChIKey LOAPLXPIJMQWJM-BIRZXAFVSA-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 562.607 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46609