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1,2,4,6-TETRA-O-ACETYL-3-O-BENZYL-5-THIO-BETA-L-IDOPYRANOSE
SpectraBase Compound ID 2PFbBv6bVhO
InChI InChI=1S/C21H26O9S/c1-12(22)26-11-17-18(28-13(2)23)19(27-10-16-8-6-5-7-9-16)20(29-14(3)24)21(31-17)30-15(4)25/h5-9,17-21H,10-11H2,1-4H3/t17-,18+,19-,20+,21+/m0/s1
InChIKey KVMNCBUYAFROMF-QGLKVJOYSA-N
Mol Weight 454.49 g/mol
Molecular Formula C21H26O9S
Exact Mass 454.129754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4IiJzOlYSQY
Name 1,2,4,6-TETRA-O-ACETYL-3-O-BENZYL-5-THIO-BETA-L-IDOPYRANOSE
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26O9S
InChI InChI=1S/C21H26O9S/c1-12(22)26-11-17-18(28-13(2)23)19(27-10-16-8-6-5-7-9-16)20(29-14(3)24)21(31-17)30-15(4)25/h5-9,17-21H,10-11H2,1-4H3/t17-,18+,19-,20+,21+/m0/s1
InChIKey KVMNCBUYAFROMF-QGLKVJOYSA-N
Literature Reference Author F.G.CALVO-FLORES,P.GARCIA-MENDOZA,F.HERNANDEZ-MATEO,J.ISAC-G ARCIA,F.SANTOYO-GONZ
Literature Reference Citation J.ORG.CHEM.,62,3944(1997)
Literature Reference DOI 10.1021/jo962066b
Molecular Weight 454.492 g/mol
Solvent CDCl3
Source File Reference UWCS21620