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METHYL-(PHENYL-2-O-BENZOYL-3-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSID)-URONATE
SpectraBase Compound ID 6SyeSr0gjpH
InChI InChI=1S/C27H26O7S/c1-31-26(30)23-21(28)22(32-17-18-11-5-2-6-12-18)24(33-25(29)19-13-7-3-8-14-19)27(34-23)35-20-15-9-4-10-16-20/h2-16,21-24,27-28H,17H2,1H3/t21-,22+,23+,24-,27+/m0/s1
InChIKey YBBDVVDSPUSOMT-QEXRHJMMSA-N
Mol Weight 494.56 g/mol
Molecular Formula C27H26O7S
Exact Mass 494.139924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HiwXmmENAbE
Name METHYL-(PHENYL-2-O-BENZOYL-3-O-BENZYL-1-THIO-BETA-D-GALACTOPYRANOSID)-URONATE
Compound Number 37
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H26O7S
InChI InChI=1S/C27H26O7S/c1-31-26(30)23-21(28)22(32-17-18-11-5-2-6-12-18)24(33-25(29)19-13-7-3-8-14-19)27(34-23)35-20-15-9-4-10-16-20/h2-16,21-24,27-28H,17H2,1H3/t21-,22+,23+,24-,27+/m0/s1
InChIKey YBBDVVDSPUSOMT-QEXRHJMMSA-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 494.559 g/mol
Sample ID 38898
Solvent CDCl3