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Methyl 3-Chloro-5-[(E,E)-7-(4,5-dihydro-5,5-dimethyl-4-oxofuran-2-yl)-3-methylocta-2,6-dienyl]-4,6-dihydroxy-2-methylbenzoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-Chloro-5-[(E,E)-7-(4,5-dihydro-5,5-dimethyl-4-oxofuran-2-yl)-3-methylocta-2,6-dienyl]-4,6-dihydroxy-2-methylbenzoate
SpectraBase Compound ID 4dhKfCucBwH
InChI InChI=1S/C24H29ClO6/c1-13(8-7-9-14(2)17-12-18(26)24(4,5)31-17)10-11-16-21(27)19(23(29)30-6)15(3)20(25)22(16)28/h9-10,12,27-28H,7-8,11H2,1-6H3/b13-10+,14-9+
InChIKey ZSQABFLYLVKGLZ-JUCMHCFKSA-N
Mol Weight 448.94 g/mol
Molecular Formula C24H29ClO6
Exact Mass 448.165266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJKQTiZ5PVs
Name Methyl 3-Chloro-5-[(E,E)-7-(4,5-dihydro-5,5-dimethyl-4-oxofuran-2-yl)-3-methylocta-2,6-dienyl]-4,6-dihydroxy-2-methylbenzoate
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Formula C24H29ClO6
InChI InChI=1S/C24H29ClO6/c1-13(8-7-9-14(2)17-12-18(26)24(4,5)31-17)10-11-16-21(27)19(23(29)30-6)15(3)20(25)22(16)28/h9-10,12,27-28H,7-8,11H2,1-6H3/b13-10+,14-9+
InChIKey ZSQABFLYLVKGLZ-JUCMHCFKSA-N
Molecular Weight 448.943 g/mol
SMILES Oc1c(c(c(c(c1C\C=C\(CC\C=C\(C1=CC(=O)C(O1)(C)C)C)C)O)C(=O)OC)C)Cl
SPLASH splash10-014i-0930000000-6d88c8d5894046cc91a4
Source of Spectrum AJ-68-2732-37
Synonyms Methyl 3-chloro-5-[(2E,6E)-7-(5,5-dimethyl-4-oxo-4,5-dihydro-2-furanyl)-3-methyl-2,6-octadienyl]-4,6-dihydroxy-2-methylbenzoate
Wiley ID 773350