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#24;[4-O-ACETOXYMETHYL]-BENZYL-3-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL]-4-O-ACETYL-DI-2,6-O-PIVALOYL-BETA-D-GALACTOPYRANOSIDE
SpectraBase Compound ID 8kUuSKY9PWe
InChI InChI=1S/C48H59NO20/c1-24(50)59-20-29-16-18-30(19-17-29)21-61-44-40(69-46(58)48(9,10)11)39(37(64-27(4)53)34(67-44)23-62-45(57)47(6,7)8)68-43-35(49-41(55)31-14-12-13-15-32(31)42(49)56)38(65-28(5)54)36(63-26(3)52)33(66-43)22-60-25(2)51/h12-19,33-40,43-44H,20-23H2,1-11H3/t33-,34-,35-,36-,37+,38-,39+,40-,43+,44-/m0/s1
InChIKey LLILIQAZFSPJHS-AVELRLDLSA-N
Mol Weight 970.0 g/mol
Molecular Formula C48H59NO20
Exact Mass 969.363043 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GRUHrGDnQir
Name #24;[4-O-ACETOXYMETHYL]-BENZYL-3-O-[3,4,6-TRI-O-ACETYL-2-DEOXY-2-PHTHALIMIDO-BETA-D-GLUCOPYRANOSYL]-4-O-ACETYL-DI-2,6-O-PIVALOYL-BETA-D-GALACTOPYRANOSIDE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H59NO20
InChI InChI=1S/C48H59NO20/c1-24(50)59-20-29-16-18-30(19-17-29)21-61-44-40(69-46(58)48(9,10)11)39(37(64-27(4)53)34(67-44)23-62-45(57)47(6,7)8)68-43-35(49-41(55)31-14-12-13-15-32(31)42(49)56)38(65-28(5)54)36(63-26(3)52)33(66-43)22-60-25(2)51/h12-19,33-40,43-44H,20-23H2,1-11H3/t33-,34-,35-,36-,37+,38-,39+,40-,43+,44-/m0/s1
InChIKey LLILIQAZFSPJHS-AVELRLDLSA-N
Literature Reference Author T.NUKADA,A.BERCES,D.M.WHITFIELD
Literature Reference Citation J.ORG.CHEM.,64,9030(1999)
Literature Reference DOI 10.1021/jo990712b
Molecular Weight 969.991 g/mol
Sample ID 59902
Solvent CDCl3