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N-4-(AMINOSULFONYL)-PHENETHYL-S-(2,2',3,3',4',6,6'-HEPTA-O-ACETYL-1-THIO-BETA-LACTOSYL)-SULFONAMIDE
SpectraBase Compound ID JNIFqwWKnM5
InChI InChI=1S/C34H46N2O21S2/c1-16(37)48-14-25-27(50-18(3)39)29(51-19(4)40)31(53-21(6)42)33(55-25)57-28-26(15-49-17(2)38)56-34(32(54-22(7)43)30(28)52-20(5)41)59(46,47)36-13-12-23-8-10-24(11-9-23)58(35,44)45/h8-11,25-34,36H,12-15H2,1-7H3,(H2,35,44,45)/t25-,26-,27+,28-,29+,30+,31-,32-,33+,34+/m0/s1
InChIKey GBEVGRPYGUOPQM-JAOXGFFNSA-N
Mol Weight 882.9 g/mol
Molecular Formula C34H46N2O21S2
Exact Mass 882.203449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KR7CrsBjWVA
Name N-4-(AMINOSULFONYL)-PHENETHYL-S-(2,2',3,3',4',6,6'-HEPTA-O-ACETYL-1-THIO-BETA-LACTOSYL)-SULFONAMIDE
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H46N2O21S2
InChI InChI=1S/C34H46N2O21S2/c1-16(37)48-14-25-27(50-18(3)39)29(51-19(4)40)31(53-21(6)42)33(55-25)57-28-26(15-49-17(2)38)56-34(32(54-22(7)43)30(28)52-20(5)41)59(46,47)36-13-12-23-8-10-24(11-9-23)58(35,44)45/h8-11,25-34,36H,12-15H2,1-7H3,(H2,35,44,45)/t25-,26-,27+,28-,29+,30+,31-,32-,33+,34+/m0/s1
InChIKey GBEVGRPYGUOPQM-JAOXGFFNSA-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 882.860 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46627