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METHYL-(PHENYL-2,3-DI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSID)-URONATE
SpectraBase Compound ID HWjjY0zbJ0K
InChI InChI=1S/C27H24O8S/c1-32-26(31)22-20(28)21(33-24(29)17-11-5-2-6-12-17)23(34-25(30)18-13-7-3-8-14-18)27(35-22)36-19-15-9-4-10-16-19/h2-16,20-23,27-28H,1H3/t20-,21-,22-,23+,27-/m1/s1
InChIKey OSRDPWAHVFTVEA-IGDZPSGXSA-N
Mol Weight 508.54 g/mol
Molecular Formula C27H24O8S
Exact Mass 508.119189 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4yfEug9rtNL
Name METHYL-(PHENYL-2,3-DI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSID)-URONATE
Compound Number 25
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O8S
InChI InChI=1S/C27H24O8S/c1-32-26(31)22-20(28)21(33-24(29)17-11-5-2-6-12-17)23(34-25(30)18-13-7-3-8-14-18)27(35-22)36-19-15-9-4-10-16-19/h2-16,20-23,27-28H,1H3/t20-,21-,22-,23+,27-/m1/s1
InChIKey OSRDPWAHVFTVEA-IGDZPSGXSA-N
Literature Reference Author L.J.V.D.BOS,J.D.C.CODEE,J.C.V.D.TOORN,T.J.BOLTJE,J.H.V.BOOM, H.S.OVERKLEEFT,G.A.V
Literature Reference Citation ORG.LETTERS,6,2165(2004)
Literature Reference DOI 10.1021/ol049380+
Molecular Weight 508.543 g/mol
Sample ID 38890
Solvent CDCl3