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5-[(E,E)-7-(3-chloro-5-hydroxymethyl-2,6-dimethoxy-4-methylphenyl)-1,5-dimethylhepta-1,5-dienyl]tetrahydro-2,2-dimethylfuran-3-ol
SpectraBase Compound ID HmkBHCng0y6
InChI InChI=1S/C25H37ClO5/c1-15(9-8-10-16(2)20-13-21(28)25(4,5)31-20)11-12-18-23(29-6)19(14-27)17(3)22(26)24(18)30-7/h10-11,20-21,27-28H,8-9,12-14H2,1-7H3/b15-11+,16-10+
InChIKey OEMSTSFHSMVKKA-YUCRUYSYSA-N
Mol Weight 453.0 g/mol
Molecular Formula C25H37ClO5
Exact Mass 452.232952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFxOLtSVYjk
Name 5-[(E,E)-7-(3-chloro-5-hydroxymethyl-2,6-dimethoxy-4-methylphenyl)-1,5-dimethylhepta-1,5-dienyl]tetrahydro-2,2-dimethylfuran-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37ClO5
InChI InChI=1S/C25H37ClO5/c1-15(9-8-10-16(2)20-13-21(28)25(4,5)31-20)11-12-18-23(29-6)19(14-27)17(3)22(26)24(18)30-7/h10-11,20-21,27-28H,8-9,12-14H2,1-7H3/b15-11+,16-10+
InChIKey OEMSTSFHSMVKKA-YUCRUYSYSA-N
Molecular Weight 453.019 g/mol
SMILES OCc1c(c(C\C=C\(CC\C=C\(C2CC(C(O2)(C)C)O)C)C)c(c(c1C)Cl)OC)OC
SPLASH splash10-0a4i-9010000000-f3e7390d3a41452e49cc
Source of Spectrum AJ-68-2732-21
Synonyms 5-{(1E,5E)-7-[3-chloro-5-(hydroxymethyl)-2,6-dimethoxy-4-methylphenyl]-1,5-dimethyl-1,5-heptadienyl}-2,2-dimethyltetrahydro-3-furanol
Wiley ID 773357