John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4EmuMAqnjm9 SpectraBase Spectrum ID=G5nqp0WzgYO

(accessed ).
ETHYL-2,3,4-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDURONIC-ACID
SpectraBase Compound ID 4EmuMAqnjm9
InChI InChI=1S/C29H32O6S/c1-2-36-29-27(34-20-23-16-10-5-11-17-23)25(33-19-22-14-8-4-9-15-22)24(26(35-29)28(30)31)32-18-21-12-6-3-7-13-21/h3-17,24-27,29H,2,18-20H2,1H3,(H,30,31)/t24-,25-,26-,27+,29-/m1/s1
InChIKey BJZSSWSDXMEVBQ-QLTWPUIQSA-N
Mol Weight 508.6 g/mol
Molecular Formula C29H32O6S
Exact Mass 508.191961 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G5nqp0WzgYO
Name ETHYL-2,3,4-TRI-O-BENZYL-1-THIO-BETA-D-GLUCOPYRANOSIDURONIC-ACID
Compound Number 10
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H32O6S
InChI InChI=1S/C29H32O6S/c1-2-36-29-27(34-20-23-16-10-5-11-17-23)25(33-19-22-14-8-4-9-15-22)24(26(35-29)28(30)31)32-18-21-12-6-3-7-13-21/h3-17,24-27,29H,2,18-20H2,1H3,(H,30,31)/t24-,25-,26-,27+,29-/m1/s1
InChIKey BJZSSWSDXMEVBQ-QLTWPUIQSA-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 508.629 g/mol
Sample ID 38879
Solvent CD3OD
SpectraBase Batch ID 661HWpEku0Q