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METHYL-(ETHYL-2,3,4-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSID)-URONATE
SpectraBase Compound ID JnI6s8Gnsnl
InChI InChI=1S/C30H34O6S/c1-3-37-30-28(35-21-24-17-11-6-12-18-24)26(34-20-23-15-9-5-10-16-23)25(27(36-30)29(31)32-2)33-19-22-13-7-4-8-14-22/h4-18,25-28,30H,3,19-21H2,1-2H3/t25-,26-,27-,28+,30-/m1/s1
InChIKey JSQYNSNFVAQYLS-HGQOMCLLSA-N
Mol Weight 522.7 g/mol
Molecular Formula C30H34O6S
Exact Mass 522.20761 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69rEpSF2Me3
Name METHYL-(ETHYL-2,3,4-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSID)-URONATE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34O6S
InChI InChI=1S/C30H34O6S/c1-3-37-30-28(35-21-24-17-11-6-12-18-24)26(34-20-23-15-9-5-10-16-23)25(27(36-30)29(31)32-2)33-19-22-13-7-4-8-14-22/h4-18,25-28,30H,3,19-21H2,1-2H3/t25-,26-,27-,28+,30-/m1/s1
InChIKey JSQYNSNFVAQYLS-HGQOMCLLSA-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 522.656 g/mol
Sample ID 38880
Solvent CD3OD