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METHYL-2-[(1E)-3-[(2S,5R,6R)-5,6-BIS-(4-METHOXYPHENYL)-1,4-DIOXAN-2-YL]-PROP-1-ENYL]-BENZOATE
SpectraBase Compound ID Nz0nE7TMS
InChI InChI=1S/C29H30O6/c1-31-23-15-11-21(12-16-23)27-28(22-13-17-24(32-2)18-14-22)35-25(19-34-27)9-6-8-20-7-4-5-10-26(20)29(30)33-3/h4-8,10-18,25,27-28H,9,19H2,1-3H3/b8-6+/t25-,27+,28+/m0/s1
InChIKey LYMRPQNDSBLNMQ-ZXXQKAOZSA-N
Mol Weight 474.55 g/mol
Molecular Formula C29H30O6
Exact Mass 474.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55j8PNZIAiJ
Name METHYL-2-[(1E)-3-[(2S,5R,6R)-5,6-BIS-(4-METHOXYPHENYL)-1,4-DIOXAN-2-YL]-PROP-1-ENYL]-BENZOATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H30O6
InChI InChI=1S/C29H30O6/c1-31-23-15-11-21(12-16-23)27-28(22-13-17-24(32-2)18-14-22)35-25(19-34-27)9-6-8-20-7-4-5-10-26(20)29(30)33-3/h4-8,10-18,25,27-28H,9,19H2,1-3H3/b8-6+/t25-,27+,28+/m0/s1
InChIKey LYMRPQNDSBLNMQ-ZXXQKAOZSA-N
Literature Reference Author M.KAPUR,A.KHARTULYARI,M.E.MAIER
Literature Reference Citation ORG.LETTERS,8,1629(2006)
Literature Reference DOI 10.1021/ol0602194
Molecular Weight 474.554 g/mol
Sample ID 59015
Solvent CDCl3