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(3S)-3-ACETOXY-1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)-(6E)-6-HEPTENE
SpectraBase Compound ID FtOuUI5tRXp
InChI InChI=1S/C21H24O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h2,4,6-7,9-11,13-14,19,23-25H,3,5,8,12H2,1H3/b4-2+/t19-/m1/s1
InChIKey QSIWSPJKOPVWIU-NLJSWGTCSA-N
Mol Weight 356.42 g/mol
Molecular Formula C21H24O5
Exact Mass 356.162374 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KStcYCBSES
Name (3S)-3-ACETOXY-1-(3,4-DIHYDROXYPHENYL)-7-(4-HYDROXYPHENYL)-(6E)-6-HEPTENE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24O5
InChI InChI=1S/C21H24O5/c1-15(22)26-19(12-8-17-9-13-20(24)21(25)14-17)5-3-2-4-16-6-10-18(23)11-7-16/h2,4,6-7,9-11,13-14,19,23-25H,3,5,8,12H2,1H3/b4-2+/t19-/m1/s1
InChIKey QSIWSPJKOPVWIU-NLJSWGTCSA-N
Literature Reference Author H.LV,G.SHE
Literature Reference Citation REC.NAT.PROD.,6,321(2012)
Molecular Weight 356.419 g/mol
Solvent CD3OD
Source File Reference UWBT15297