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(4E)-6-(2,5-Dihydroxy-3-methylphenyl)-1-[1,2-dimethyl-2-(4-methyl-3-pentenoyl)cyclopentyl]-4-methyl-4-hexen-2-one
SpectraBase Compound ID FDuq3em0v3M
InChI InChI=1S/C27H38O4/c1-18(2)8-11-24(30)27(6)13-7-12-26(27,5)17-23(29)14-19(3)9-10-21-16-22(28)15-20(4)25(21)31/h8-9,15-16,28,31H,7,10-14,17H2,1-6H3/b19-9+
InChIKey SPVBCLLINBMSHU-DJKKODMXSA-N
Mol Weight 426.6 g/mol
Molecular Formula C27H38O4
Exact Mass 426.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7F4MbZ2vgp6
Name (4E)-6-(2,5-Dihydroxy-3-methylphenyl)-1-[1,2-dimethyl-2-(4-methyl-3-pentenoyl)cyclopentyl]-4-methyl-4-hexen-2-one
CAS Registry Number 97743-94-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O4
InChI InChI=1S/C27H38O4/c1-18(2)8-11-24(30)27(6)13-7-12-26(27,5)17-23(29)14-19(3)9-10-21-16-22(28)15-20(4)25(21)31/h8-9,15-16,28,31H,7,10-14,17H2,1-6H3/b19-9+
InChIKey SPVBCLLINBMSHU-DJKKODMXSA-N
Molecular Weight 426.597 g/mol
SMILES Oc1c(cc(cc1C\C=C\(CC(CC1(CCCC1(C(CC=C(C)C)=O)C)C)=O)C)O)C
SPLASH splash10-00os-9700100000-5a4a7b03ad409b92a623
Source of Spectrum W5-1989-37709-27827
Synonyms (E)-1-[1,2-dimethyl-2-(4-methylpent-3-enoyl)cyclopentyl]-4-methyl-6-[3-methyl-2,5-bis(oxidanyl)phenyl]hex-4-en-2-one (E)-6-(2,5-dihydroxy-3-methyl-phenyl)-1-[1,2-dimethyl-2-(4-methylpent-3-enoyl)cyclopentyl]-4-methyl-hex-4-en-2-one (E)-6-(2,5-dihydroxy-3-methylphenyl)-1-[1,2-dimethyl-2-(4-methyl-1-oxopent-3-enyl)cyclopentyl]-4-methyl-4-hexen-2-one 6-(2,5-Dihydroxy-3-methylphenyl)-1-[1,2-dimethyl-2-(4-methyl-1-oxo-3-pentenyl)cyclopentyl]-4-methyl-4-hexen-2-one
Wiley ID 1380088