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METHYL-(PHENYL-4-O-ACETYL-2,3-DI-O-BENZOYL-1-THIO-BETA-D-GALACTOPYRANOSID)-URONATE
SpectraBase Compound ID 6sKR0WQhUgQ
InChI InChI=1S/C29H26O9S/c1-18(30)35-22-23(36-26(31)19-12-6-3-7-13-19)25(37-27(32)20-14-8-4-9-15-20)29(38-24(22)28(33)34-2)39-21-16-10-5-11-17-21/h3-17,22-25,29H,1-2H3/t22-,23+,24+,25-,29+/m1/s1
InChIKey LMOZRBKBWOBZDI-HGQALCJKSA-N
Mol Weight 550.58 g/mol
Molecular Formula C29H26O9S
Exact Mass 550.129754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATGimreLpMc
Name METHYL-(PHENYL-4-O-ACETYL-2,3-DI-O-BENZOYL-1-THIO-BETA-D-GALACTOPYRANOSID)-URONATE
Compound Number 41
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H26O9S
InChI InChI=1S/C29H26O9S/c1-18(30)35-22-23(36-26(31)19-12-6-3-7-13-19)25(37-27(32)20-14-8-4-9-15-20)29(38-24(22)28(33)34-2)39-21-16-10-5-11-17-21/h3-17,22-25,29H,1-2H3/t22-,23+,24+,25-,29+/m1/s1
InChIKey LMOZRBKBWOBZDI-HGQALCJKSA-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 550.580 g/mol
Sample ID 38903
Solvent CDCl3