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BIS-[METHYL-(METHYL-2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSIDE)-URONATE]
SpectraBase Compound ID GRJyw0cFOXH
InChI InChI=1S/C28H38O18S2/c1-11(29)39-17-19(41-13(3)31)23(43-15(5)33)27(45-21(17)25(35)37-7)47-9-10-48-28-24(44-16(6)34)20(42-14(4)32)18(40-12(2)30)22(46-28)26(36)38-8/h17-24,27-28H,9-10H2,1-8H3/t17-,18-,19-,20-,21-,22-,23+,24+,27-,28-/m0/s1
InChIKey ICVKKVGEMZGQFK-BBHLJVOZSA-N
Mol Weight 726.7 g/mol
Molecular Formula C28H38O18S2
Exact Mass 726.149957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3CeL0Q3PQ3A
Name BIS-[METHYL-(METHYL-2,3,4-TRI-O-ACETYL-1-THIO-BETA-D-GLUCOPYRANOSIDE)-URONATE]
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O18S2
InChI InChI=1S/C28H38O18S2/c1-11(29)39-17-19(41-13(3)31)23(43-15(5)33)27(45-21(17)25(35)37-7)47-9-10-48-28-24(44-16(6)34)20(42-14(4)32)18(40-12(2)30)22(46-28)26(36)38-8/h17-24,27-28H,9-10H2,1-8H3/t17-,18-,19-,20-,21-,22-,23+,24+,27-,28-/m0/s1
InChIKey ICVKKVGEMZGQFK-BBHLJVOZSA-N
Literature Reference Author C.STANETTY,A.WOLKERSTORFER,H.AMER,A.HOFINGER,U.JORDIS,D.CLAB EN-HOUBEN,P.KOSMA
Literature Reference Citation BEIL.J.ORG.CHEM.,8,705(2012)
Literature Reference DOI 10.3762/bjoc.8.79
Molecular Weight 726.719 g/mol
Solvent CDCl3
Source File Reference UWIR10529