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4-O-[(2E,4E)-3,7-Dimethyl-5-ethoxy-2,4-octadien-7-ol]-sinapyl alcohol
SpectraBase Compound ID 4En1XmmxE0I
InChI InChI=1S/C23H34O6/c1-7-28-19(16-23(3,4)25)13-17(2)10-12-29-22-20(26-5)14-18(9-8-11-24)15-21(22)27-6/h8-10,13-15,24-25H,7,11-12,16H2,1-6H3/b9-8?,17-10+,19-13+
InChIKey GMSWMOZEIVVWPB-GASWKEKKSA-N
Mol Weight 406.5 g/mol
Molecular Formula C23H34O6
Exact Mass 406.235539 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GlYa93vu9hJ
Name 4-O-[(2E,4E)-3,7-Dimethyl-5-ethoxy-2,4-octadien-7-ol]-sinapyl alcohol
Alternate Name(s) Nelumol E
Appearance gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O6
InChI InChI=1S/C23H34O6/c1-7-28-19(16-23(3,4)25)13-17(2)10-12-29-22-20(26-5)14-18(9-8-11-24)15-21(22)27-6/h8-10,13-15,24-25H,7,11-12,16H2,1-6H3/b9-8?,17-10+,19-13+
InChIKey GMSWMOZEIVVWPB-GASWKEKKSA-N
Instrument Name VG Auto Spec-3000
Ionization Type EI
Literature Reference DOI 10.1021/np0200257
Molecular Weight 406.519 g/mol
SMILES OCC=Cc1cc(c(OC\C=C\(\C=C/(CC(O)(C)C)OCC)C)c(c1)OC)OC
SPLASH splash10-03xr-4971000000-57fa3cafb4f0b201f17d
Source of Spectrum G4-65-905-4
Thin-Layer Chromatography Rf = 0.49 (CHCl3/MeOH, 8:1)
Wiley ID 1883732