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N-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N'-[10-(2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-LACTOSYLAMINOCARBONYL)-DECAN-1-YL]-THIOUREA
SpectraBase Compound ID BzBJEGyKWYk
InChI InChI=1S/C52H77N3O27S/c1-25(56)68-22-36-40(71-28(4)59)43(73-30(6)61)47(77-34(10)65)50(80-36)55-52(83)53-21-19-17-15-13-12-14-16-18-20-39(67)54-49-46(76-33(9)64)44(74-31(7)62)42(37(79-49)23-69-26(2)57)82-51-48(78-35(11)66)45(75-32(8)63)41(72-29(5)60)38(81-51)24-70-27(3)58/h36-38,40-51H,12-24H2,1-11H3,(H,54,67)(H2,53,55,83)/t36-,37+,38+,40+,41-,42+,43+,44-,45-,46+,47-,48+,49+,50-,51-/m0/s1
InChIKey RBQZDWFNFWWSNA-VWPNZQPCSA-N
Mol Weight 1208.2 g/mol
Molecular Formula C52H77N3O27S
Exact Mass 1207.446515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GC6FDJP9iJU
Name N-(2,3,4,6-TETRA-O-ACETYL-BETA-D-GALACTOPYRANOSYL)-N'-[10-(2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-LACTOSYLAMINOCARBONYL)-DECAN-1-YL]-THIOUREA
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H77N3O27S
InChI InChI=1S/C52H77N3O27S/c1-25(56)68-22-36-40(71-28(4)59)43(73-30(6)61)47(77-34(10)65)50(80-36)55-52(83)53-21-19-17-15-13-12-14-16-18-20-39(67)54-49-46(76-33(9)64)44(74-31(7)62)42(37(79-49)23-69-26(2)57)82-51-48(78-35(11)66)45(75-32(8)63)41(72-29(5)60)38(81-51)24-70-27(3)58/h36-38,40-51H,12-24H2,1-11H3,(H,54,67)(H2,53,55,83)/t36-,37+,38+,40+,41-,42+,43+,44-,45-,46+,47-,48+,49+,50-,51-/m0/s1
InChIKey RBQZDWFNFWWSNA-VWPNZQPCSA-N
Literature Reference Author C.PRATA,N.MORA,A.POLIDORI,J.M.LACOMBE,B.PUCCI
Literature Reference Citation CARBOHYDR.RES.,321,15(1999)
Literature Reference DOI 10.1016/S0008-6215(99)00162-7
Molecular Weight 1208.247 g/mol
Solvent CDCl3
Source File Reference UWMZ10942