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(2S,4R,5R)-2-(4-methoxyphenyl)-5-methyl-4-[(1E,3E)-3-methyl-4-phenylsulfonylbuta-1,3-dienyl]-1,3-dioxane
SpectraBase Compound ID A2yja2S5HaS
InChI InChI=1S/C23H26O5S/c1-17(16-29(24,25)21-7-5-4-6-8-21)9-14-22-18(2)15-27-23(28-22)19-10-12-20(26-3)13-11-19/h4-14,16,18,22-23H,15H2,1-3H3/b14-9+,17-16+/t18-,22-,23+/m1/s1
InChIKey YZZMREKFRIQJIM-YRVRPBTKSA-N
Mol Weight 414.52 g/mol
Molecular Formula C23H26O5S
Exact Mass 414.150095 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GygR9rLQVt
Name (2S,4R,5R)-2-(4-methoxyphenyl)-5-methyl-4-[(1E,3E)-3-methyl-4-phenylsulfonylbuta-1,3-dienyl]-1,3-dioxane
Compound Number 17EE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H26O5S
InChI InChI=1S/C23H26O5S/c1-17(16-29(24,25)21-7-5-4-6-8-21)9-14-22-18(2)15-27-23(28-22)19-10-12-20(26-3)13-11-19/h4-14,16,18,22-23H,15H2,1-3H3/b14-9+,17-16+/t18-,22-,23+/m1/s1
InChIKey YZZMREKFRIQJIM-YRVRPBTKSA-N
Literature Reference Author X.LI,D.LANTRIP,P.L.FUCHS
Literature Reference Citation J.AM.CHEM.SOC.,125,14262(2003)
Literature Reference DOI 10.1021/ja0377596
Molecular Weight 414.516 g/mol
Sample ID 35326
Solvent CDCl3