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METHYL-6-DEOXY-6-(2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-LACTOSYLTHIOUREIDO)-ALPHA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID 9mN7C84L9lH
InChI InChI=1S/C34H50N2O22S/c1-12(37)48-10-20-26(58-33-30(54-18(7)43)28(52-16(5)41)25(50-14(3)39)21(57-33)11-49-13(2)38)27(51-15(4)40)29(53-17(6)42)31(55-20)36-34(59)35-9-19-22(44)23(45)24(46)32(47-8)56-19/h19-33,44-46H,9-11H2,1-8H3,(H2,35,36,59)/t19-,20+,21+,22-,23+,24-,25-,26+,27-,28-,29+,30+,31+,32+,33-/m0/s1
InChIKey MXHSXDBHTOLMIY-CGZPDKHWSA-N
Mol Weight 870.8 g/mol
Molecular Formula C34H50N2O22S
Exact Mass 870.257592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Z3aMYie64N
Name METHYL-6-DEOXY-6-(2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-LACTOSYLTHIOUREIDO)-ALPHA-D-GLUCOPYRANOSIDE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H50N2O22S
InChI InChI=1S/C34H50N2O22S/c1-12(37)48-10-20-26(58-33-30(54-18(7)43)28(52-16(5)41)25(50-14(3)39)21(57-33)11-49-13(2)38)27(51-15(4)40)29(53-17(6)42)31(55-20)36-34(59)35-9-19-22(44)23(45)24(46)32(47-8)56-19/h19-33,44-46H,9-11H2,1-8H3,(H2,35,36,59)/t19-,20+,21+,22-,23+,24-,25-,26+,27-,28-,29+,30+,31+,32+,33-/m0/s1
InChIKey MXHSXDBHTOLMIY-CGZPDKHWSA-N
Literature Reference Author J.M.BENITO,C.O.MELLET,K.SADALAPURE,T.K.LINDHORST,J.DEFAYE,J. M.G.FERNANDEZ
Literature Reference Citation CARBOHYDR.RES.,320,37(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00141-X
Molecular Weight 870.831 g/mol
Solvent CDCl3
Source File Reference UWRU5141