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3-Chloro-5-[(2E,6E)-7-(3-ethylsulfanyl-5,5-dimethyl-4-oxo-tetrahydro-furan-2-yl)-3-methyl-octa-2,6-dienyl]-4-hydroxy-6-methoxy-2-methyl-benzaldehyde
SpectraBase Compound ID FAh1VSWfD5H
InChI InChI=1S/C26H35ClO5S/c1-8-33-24-22(32-26(5,6)25(24)30)16(3)11-9-10-15(2)12-13-18-21(29)20(27)17(4)19(14-28)23(18)31-7/h11-12,14,22,24,29H,8-10,13H2,1-7H3/b15-12+,16-11+
InChIKey LLXZGDCROGUNHG-KSELWQEASA-N
Mol Weight 495.1 g/mol
Molecular Formula C26H35ClO5S
Exact Mass 494.189373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bc4TCzeeO8v
Name 3-Chloro-5-[(2E,6E)-7-(3-ethylsulfanyl-5,5-dimethyl-4-oxo-tetrahydro-furan-2-yl)-3-methyl-octa-2,6-dienyl]-4-hydroxy-6-methoxy-2-methyl-benzaldehyde
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Formula C26H35ClO5S
InChI InChI=1S/C26H35ClO5S/c1-8-33-24-22(32-26(5,6)25(24)30)16(3)11-9-10-15(2)12-13-18-21(29)20(27)17(4)19(14-28)23(18)31-7/h11-12,14,22,24,29H,8-10,13H2,1-7H3/b15-12+,16-11+
InChIKey LLXZGDCROGUNHG-KSELWQEASA-N
Molecular Weight 495.074 g/mol
SMILES Oc1c(C\C=C\(CC\C=C\(C2C(C(C(O2)(C)C)=O)SCC)C)C)c(c(C=O)c(c1Cl)C)OC
SPLASH splash10-014i-0900000000-6f9a1f049d13357fbde2
Source of Spectrum AJ-68-2732-28
Synonyms 3-Chloro-5-[(2E,6E)-7-[3-(ethylsulfanyl)-5,5-dimethyl-4-oxooxolan-2-yl]-3-methylocta-2,6-dien-1-yl]-4-hydroxy-6-methoxy-2-methylbenzaldehyde 3-Chloro-5-{(E,E)-7-[3-(ethylthio)tetrahydro-5,5-dimethyl-4-oxofuran-2-yl]-3-methylocta-2,6-dienyl}-4-hydroxy-6-methoxy-2-methylbenzaldehyde 3-Chloro-5-{(E,E)-7-[3-(ethylthio)tetrahydro-5,5-dimethyl-4-oxofuran-2-yl]-3-methylocta-2,6-dienyl}-4-hydroxy-6-methoxy-2-methylbenzaldrhyde
Wiley ID 773354