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N,N-DIMETHYL-N'-(2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-D-CELLOBIOPYRANOSYL)-THIOUREA
SpectraBase Compound ID 2CF0Wwknlrg
InChI InChI=1S/C29H42N2O17S/c1-12(32)39-10-19-22(23(42-15(4)35)25(44-17(6)37)27(46-19)30-29(49)31(8)9)48-28-26(45-18(7)38)24(43-16(5)36)21(41-14(3)34)20(47-28)11-40-13(2)33/h19-28H,10-11H2,1-9H3,(H,30,49)/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKey XGDBHAYOXGYCEB-HYSGBLIFSA-N
Mol Weight 722.7 g/mol
Molecular Formula C29H42N2O17S
Exact Mass 722.220419 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BE6AWrjKJi
Name N,N-DIMETHYL-N'-(2,3,6,2',3',4',6'-HEPTA-O-ACETYL-BETA-D-CELLOBIOPYRANOSYL)-THIOUREA
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H42N2O17S
InChI InChI=1S/C29H42N2O17S/c1-12(32)39-10-19-22(23(42-15(4)35)25(44-17(6)37)27(46-19)30-29(49)31(8)9)48-28-26(45-18(7)38)24(43-16(5)36)21(41-14(3)34)20(47-28)11-40-13(2)33/h19-28H,10-11H2,1-9H3,(H,30,49)/t19-,20-,21-,22-,23+,24+,25-,26-,27-,28+/m1/s1
InChIKey XGDBHAYOXGYCEB-HYSGBLIFSA-N
Literature Reference Author M.S.M.PEARSON,A.ROBIN,N.BOURGOUGNON,J.C.MESLIN,D.DENIAUD
Literature Reference Citation J.ORG.CHEM.,68,8583(2003)
Literature Reference DOI 10.1021/jo034709a
Molecular Weight 722.716 g/mol
Solvent CDCl3
Source File Reference UWVN21093