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(2Z,4E)-5-[(1R,5R,6S)-5-hydroxy-4,6-dimethyl-2-oxo-5-bicyclo[4.1.0]hept-3-enyl]-3-methylpenta-2,4-dienoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2Z,4E)-5-[(1R,5R,6S)-5-hydroxy-4,6-dimethyl-2-oxo-5-bicyclo[4.1.0]hept-3-enyl]-3-methylpenta-2,4-dienoic acid methyl ester
SpectraBase Compound ID 5s1WS7un7MQ
InChI InChI=1S/C16H20O4/c1-10(7-14(18)20-4)5-6-16(19)11(2)8-13(17)12-9-15(12,16)3/h5-8,12,19H,9H2,1-4H3/b6-5+,10-7-/t12-,15-,16+/m0/s1
InChIKey SCTVQIBMKSAFHW-FBLOJXRYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1FWuatskcic
Name (2Z,4E)-5-[(1R,5R,6S)-5-hydroxy-4,6-dimethyl-2-oxo-5-bicyclo[4.1.0]hept-3-enyl]-3-methylpenta-2,4-dienoic acid methyl ester
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Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-10(7-14(18)20-4)5-6-16(19)11(2)8-13(17)12-9-15(12,16)3/h5-8,12,19H,9H2,1-4H3/b6-5+,10-7-/t12-,15-,16+/m0/s1
InChIKey SCTVQIBMKSAFHW-FBLOJXRYSA-N
Molecular Weight 276.332 g/mol
SMILES O[C@]1([C@@]2([C@](C(=O)C=C1C)(C2)[H])C)\C=C\C(=C/C(=O)OC)C
SPLASH splash10-004r-0940000000-eb3974bc5054ec1502ed
Source of Spectrum F-52-8091-6
Synonyms (2Z,4E)-5-[(1R,5R,6S)-5-hydroxy-4,6-dimethyl-2-oxo-5-bicyclo[4.1.0]hept-3-enyl]-3-methylpenta-2,4-dienoic acid methyl ester (2Z,4E)-5-[(1R,5R,6S)-5-hydroxy-4,6-dimethyl-2-oxo-5-bicyclo[4.1.0]hept-3-enyl]-3-methyl-penta-2,4-dienoic acid methyl ester (2Z,4E)-5-[(1R,5R,6S)-4,6-dimethyl-5-oxidanyl-2-oxidanylidene-5-bicyclo[4.1.0]hept-3-enyl]-3-methyl-penta-2,4-dienoic acid methyl ester
Wiley ID 796946