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METHYL-(PHENYL-2,4-DI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE)-URONATE
SpectraBase Compound ID B3SyPVeavD5
InChI InChI=1S/C27H28O6S/c1-30-26(29)25-23(31-17-19-11-5-2-6-12-19)22(28)24(32-18-20-13-7-3-8-14-20)27(33-25)34-21-15-9-4-10-16-21/h2-16,22-25,27-28H,17-18H2,1H3/t22-,23-,24+,25-,27-/m1/s1
InChIKey ZLHCKGNWUKMKDK-ZANOAUCBSA-N
Mol Weight 480.58 g/mol
Molecular Formula C27H28O6S
Exact Mass 480.16066 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2hKpDBGNyln
Name METHYL-(PHENYL-2,4-DI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDE)-URONATE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O6S
InChI InChI=1S/C27H28O6S/c1-30-26(29)25-23(31-17-19-11-5-2-6-12-19)22(28)24(32-18-20-13-7-3-8-14-20)27(33-25)34-21-15-9-4-10-16-21/h2-16,22-25,27-28H,17-18H2,1H3/t22-,23-,24+,25-,27-/m1/s1
InChIKey ZLHCKGNWUKMKDK-ZANOAUCBSA-N
Literature Reference Author L.J.V.D.BOS,R.E.J.N.LITJENS,R.J.B.H.N.V.D.BERG,H.S.OVERKLEEF T,G.A.V.D.MAREL
Literature Reference Citation ORG.LETTERS,7,2007(2005)
Literature Reference DOI 10.1021/ol050491y
Molecular Weight 480.576 g/mol
Sample ID 42808
Solvent CDCl3