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4-O-[(2E,5E)-3,7-Dimethyl-5-ethoxy-2,5-octadiene-7-ol]-sinapyl alcohol
SpectraBase Compound ID 4ANTNZs048G
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/h8-10,14-16,24-25H,7,11-13H2,1-6H3/b9-8?,17-10+,19-16+
InChIKey WEYUEBJEXMHHGK-VDCLSHLUSA-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 Bnistm39SYx
Name 4-O-[(2E,5E)-3,7-Dimethyl-5-ethoxy-2,5-octadiene-7-ol]-sinapyl alcohol
Appearance gum
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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/h8-10,14-16,24-25H,7,11-13H2,1-6H3/b9-8?,17-10+,19-16+
InChIKey WEYUEBJEXMHHGK-VDCLSHLUSA-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(=C/C(C)(C)O)OCC)C)c(c1)OC)OC
SPLASH splash10-03xr-5792000000-0f9580f8d1dae6d3ed29
Source of Spectrum G4-65-905-3
Synonyms Nelumol D
Thin-Layer Chromatography Rf = 0.57 (CHCl3/MeOH, 8:1)
Wiley ID 1883731