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N-4-(AMINOSULFONYL)-BENZYL-S-(2,2',3,3',4',6,6'-HEPTA-O-ACETYL-1-THIO-BETA-LACTOSYL)-SULFONAMIDE
SpectraBase Compound ID L4mVNunGjQY
InChI InChI=1S/C33H44N2O21S2/c1-15(36)47-13-24-26(49-17(3)38)28(50-18(4)39)30(52-20(6)41)32(54-24)56-27-25(14-48-16(2)37)55-33(31(53-21(7)42)29(27)51-19(5)40)58(45,46)35-12-22-8-10-23(11-9-22)57(34,43)44/h8-11,24-33,35H,12-14H2,1-7H3,(H2,34,43,44)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+/m0/s1
InChIKey RMHAYQJKUUSZJQ-PTWDJHQXSA-N
Mol Weight 868.8 g/mol
Molecular Formula C33H44N2O21S2
Exact Mass 868.187799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AlPhcjXyZTh
Name N-4-(AMINOSULFONYL)-BENZYL-S-(2,2',3,3',4',6,6'-HEPTA-O-ACETYL-1-THIO-BETA-LACTOSYL)-SULFONAMIDE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H44N2O21S2
InChI InChI=1S/C33H44N2O21S2/c1-15(36)47-13-24-26(49-17(3)38)28(50-18(4)39)30(52-20(6)41)32(54-24)56-27-25(14-48-16(2)37)55-33(31(53-21(7)42)29(27)51-19(5)40)58(45,46)35-12-22-8-10-23(11-9-22)57(34,43)44/h8-11,24-33,35H,12-14H2,1-7H3,(H2,34,43,44)/t24-,25-,26-,27-,28+,29+,30-,31-,32-,33+/m0/s1
InChIKey RMHAYQJKUUSZJQ-PTWDJHQXSA-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 868.833 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46621