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ALPHA-D-GALNAC-(1->3)-BETA-D-GAL-(1->4)-[ALPHA-L-FUC-(1->3)]-BETA-D-GLCOME
SpectraBase Compound ID AkVsOjr4fnI
InChI InChI=1S/C27H47NO20/c1-7-13(33)17(37)18(38)26(42-7)48-23-20(40)25(41-3)45-11(6-31)21(23)46-27-19(39)22(15(35)10(5-30)44-27)47-24-12(28-8(2)32)16(36)14(34)9(4-29)43-24/h7,9-27,29-31,33-40H,4-6H2,1-3H3,(H,28,32)/t7-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey MBIWYPUDKDEYHQ-ZIBRLLEDSA-N
Mol Weight 705.7 g/mol
Molecular Formula C27H47NO20
Exact Mass 705.269143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EplRXSeEIWf
Name ALPHA-D-GALNAC-(1->3)-BETA-D-GAL-(1->4)-[ALPHA-L-FUC-(1->3)]-BETA-D-GLCOME
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H47NO20
InChI InChI=1S/C27H47NO20/c1-7-13(33)17(37)18(38)26(42-7)48-23-20(40)25(41-3)45-11(6-31)21(23)46-27-19(39)22(15(35)10(5-30)44-27)47-24-12(28-8(2)32)16(36)14(34)9(4-29)43-24/h7,9-27,29-31,33-40H,4-6H2,1-3H3,(H,28,32)/t7-,9-,10-,11-,12-,13+,14+,15+,16-,17+,18-,19-,20-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChIKey MBIWYPUDKDEYHQ-ZIBRLLEDSA-N
Literature Reference Author J.M.COTERON,K.SINGH,J.L.ASENSIO,M.DOMINGUEZ-DALDA,A.FERNANDE Z-MAYORALAS,J.JIMENE
Literature Reference Citation J.ORG.CHEM.,60,1502(1995)
Literature Reference DOI 10.1021/jo00111a008
Molecular Weight 705.665 g/mol
Solvent D2O
Source File Reference UWRU3362