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4-{(4-S,6-R)-6-[2-(4-HYDROXYPHENYL)-ETHYL]-2,2-DIMETHYL-[1.3]-DIOXIN-4-YL}-BUTYRIC_ACID_METHYLESTER
SpectraBase Compound ID KIaV8FOMcgR
InChI InChI=1S/C19H28O5/c1-19(2)23-16(5-4-6-18(21)22-3)13-17(24-19)12-9-14-7-10-15(20)11-8-14/h7-8,10-11,16-17,20H,4-6,9,12-13H2,1-3H3/t16-,17+/m1/s1
InChIKey CUFMWLRJOFDZTH-SJORKVTESA-N
Mol Weight 336.43 g/mol
Molecular Formula C19H28O5
Exact Mass 336.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7MSS38cWgGA
Name 4-{(4-S,6-R)-6-[2-(4-HYDROXYPHENYL)-ETHYL]-2,2-DIMETHYL-[1.3]-DIOXIN-4-YL}-BUTYRIC_ACID_METHYLESTER
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O5
InChI InChI=1S/C19H28O5/c1-19(2)23-16(5-4-6-18(21)22-3)13-17(24-19)12-9-14-7-10-15(20)11-8-14/h7-8,10-11,16-17,20H,4-6,9,12-13H2,1-3H3/t16-,17+/m1/s1
InChIKey CUFMWLRJOFDZTH-SJORKVTESA-N
Literature Reference Author M.OUEDRAOGO,H.CARREYRE,C.VANDEBROUCK,J.BESCOND,G.RAYMOND,I.P .GUISSOU,C.COGNARD,F
Literature Reference Citation J.NAT.PROD.,70,2006(2007)
Literature Reference DOI 10.1021/np070355x
Molecular Weight 336.428 g/mol
Sample ID 31240
Solvent CDCl3