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N-4-(AMINOSULFONYL)-PHENETHYL-S-(2,2',3,3',4',6,6'-HEPTA-O-ACETYL-1-THIO-BETA-LACTOSYL)-SULFENAMIDE
SpectraBase Compound ID HOyy7EJu5i7
InChI InChI=1S/C34H46N2O19S2/c1-16(37)46-14-25-27(48-18(3)39)29(49-19(4)40)31(51-21(6)42)33(53-25)55-28-26(15-47-17(2)38)54-34(32(52-22(7)43)30(28)50-20(5)41)56-36-13-12-23-8-10-24(11-9-23)57(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+/m1/s1
InChIKey QHBKLUUOXQAXFY-MEVVGGRJSA-N
Mol Weight 850.9 g/mol
Molecular Formula C34H46N2O19S2
Exact Mass 850.21362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwAu5S3WMhY
Name N-4-(AMINOSULFONYL)-PHENETHYL-S-(2,2',3,3',4',6,6'-HEPTA-O-ACETYL-1-THIO-BETA-LACTOSYL)-SULFENAMIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H46N2O19S2
InChI InChI=1S/C34H46N2O19S2/c1-16(37)46-14-25-27(48-18(3)39)29(49-19(4)40)31(51-21(6)42)33(53-25)55-28-26(15-47-17(2)38)54-34(32(52-22(7)43)30(28)50-20(5)41)56-36-13-12-23-8-10-24(11-9-23)57(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+/m1/s1
InChIKey QHBKLUUOXQAXFY-MEVVGGRJSA-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 850.861 g/mol
Solvent DMSO-D6
Source File Reference UWMZ46625