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METHYL-(PHENYL-4-O-BENZYL-2,3-O-ISOPROPYLIDENE-1-THIO-ALPHA-D-MANNOPYRANID)-URONATE
SpectraBase Compound ID 2yunpwPsoMD
InChI InChI=1S/C23H26O6S/c1-23(2)28-18-17(26-14-15-10-6-4-7-11-15)19(21(24)25-3)27-22(20(18)29-23)30-16-12-8-5-9-13-16/h4-13,17-20,22H,14H2,1-3H3/t17-,18-,19-,20-,22+/m1/s1
InChIKey CVWDPVJFTCOTJK-DOSYZEEDSA-N
Mol Weight 430.52 g/mol
Molecular Formula C23H26O6S
Exact Mass 430.14501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GhO5vRG9xWG
Name METHYL-(PHENYL-4-O-BENZYL-2,3-O-ISOPROPYLIDENE-1-THIO-ALPHA-D-MANNOPYRANID)-URONATE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O6S
InChI InChI=1S/C23H26O6S/c1-23(2)28-18-17(26-14-15-10-6-4-7-11-15)19(21(24)25-3)27-22(20(18)29-23)30-16-12-8-5-9-13-16/h4-13,17-20,22H,14H2,1-3H3/t17-,18-,19-,20-,22+/m1/s1
InChIKey CVWDPVJFTCOTJK-DOSYZEEDSA-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 430.516 g/mol
Sample ID 38886
Solvent CDCl3