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ETHYL-2,3-DI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDURONIC-ACID
SpectraBase Compound ID JHiXdtI6R3u
InChI InChI=1S/C22H22O8S/c1-2-31-22-18(29-21(27)14-11-7-4-8-12-14)16(15(23)17(30-22)19(24)25)28-20(26)13-9-5-3-6-10-13/h3-12,15-18,22-23H,2H2,1H3,(H,24,25)/t15-,16-,17-,18+,22-/m0/s1
InChIKey CPMMQXMXSXVMSP-LGWBKDFWSA-N
Mol Weight 446.47 g/mol
Molecular Formula C22H22O8S
Exact Mass 446.103539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbWRd1C9mhb
Name ETHYL-2,3-DI-O-BENZOYL-1-THIO-BETA-D-GLUCOPYRANOSIDURONIC-ACID
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22O8S
InChI InChI=1S/C22H22O8S/c1-2-31-22-18(29-21(27)14-11-7-4-8-12-14)16(15(23)17(30-22)19(24)25)28-20(26)13-9-5-3-6-10-13/h3-12,15-18,22-23H,2H2,1H3,(H,24,25)/t15-,16-,17-,18+,22-/m0/s1
InChIKey CPMMQXMXSXVMSP-LGWBKDFWSA-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 446.472 g/mol
Sample ID 38887
Solvent CD3OD