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PHENYL-4-O-BENZYL-2,3-O-ISOPROPYLIDENE-1-THIO-ALPHA-D-MANNOPYRANIDURONIC-ACID
SpectraBase Compound ID 36UOYLjEPkS
InChI InChI=1S/C22H24O6S/c1-22(2)27-17-16(25-13-14-9-5-3-6-10-14)18(20(23)24)26-21(19(17)28-22)29-15-11-7-4-8-12-15/h3-12,16-19,21H,13H2,1-2H3,(H,23,24)/t16-,17-,18-,19-,21+/m1/s1
InChIKey DKPJKRMOMIHTMS-FKAKKMJLSA-N
Mol Weight 416.49 g/mol
Molecular Formula C22H24O6S
Exact Mass 416.12936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jp2Ax84k3c
Name PHENYL-4-O-BENZYL-2,3-O-ISOPROPYLIDENE-1-THIO-ALPHA-D-MANNOPYRANIDURONIC-ACID
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H24O6S
InChI InChI=1S/C22H24O6S/c1-22(2)27-17-16(25-13-14-9-5-3-6-10-14)18(20(23)24)26-21(19(17)28-22)29-15-11-7-4-8-12-15/h3-12,16-19,21H,13H2,1-2H3,(H,23,24)/t16-,17-,18-,19-,21+/m1/s1
InChIKey DKPJKRMOMIHTMS-FKAKKMJLSA-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 416.489 g/mol
Sample ID 38885
Solvent CD3OD