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METHYL-(ETHYL-2-O-BENZOYL-3-O-BENZYL-1-THIO-ALPHA-L-IDOPYRANOSID)-URONATE
SpectraBase Compound ID 80PFYP6cM8e
InChI InChI=1S/C23H26O7S/c1-3-31-23-20(29-21(25)16-12-8-5-9-13-16)18(17(24)19(30-23)22(26)27-2)28-14-15-10-6-4-7-11-15/h4-13,17-20,23-24H,3,14H2,1-2H3/t17-,18-,19+,20+,23+/m1/s1
InChIKey ZUAZAJBTGQSOIO-WCZGSDDISA-N
Mol Weight 446.51 g/mol
Molecular Formula C23H26O7S
Exact Mass 446.139924 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7HL3CuzC9Ph
Name METHYL-(ETHYL-2-O-BENZOYL-3-O-BENZYL-1-THIO-ALPHA-L-IDOPYRANOSID)-URONATE
Compound Number 40-ALPHA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O7S
InChI InChI=1S/C23H26O7S/c1-3-31-23-20(29-21(25)16-12-8-5-9-13-16)18(17(24)19(30-23)22(26)27-2)28-14-15-10-6-4-7-11-15/h4-13,17-20,23-24H,3,14H2,1-2H3/t17-,18-,19+,20+,23+/m1/s1
InChIKey ZUAZAJBTGQSOIO-WCZGSDDISA-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 446.515 g/mol
Sample ID 38901
Solvent CDCl3