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(E,3R,5S)-3,5-Dihydroxy-7-(4-merthylphenyl)-6-heptenoic acid 1,5-lactone
SpectraBase Compound ID E0rCeYZPXg3
InChI InChI=1S/C14H16O3/c1-10-2-4-11(5-3-10)6-7-13-8-12(15)9-14(16)17-13/h2-7,12-13,15H,8-9H2,1H3/b7-6+/t12-,13-/m1/s1
InChIKey XQIZEBMEHHETSW-AMRKSYTLSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 98GyMdYkKc5
Name (E,3R,5S)-3,5-Dihydroxy-7-(4-merthylphenyl)-6-heptenoic acid 1,5-lactone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-10-2-4-11(5-3-10)6-7-13-8-12(15)9-14(16)17-13/h2-7,12-13,15H,8-9H2,1H3/b7-6+/t12-,13-/m1/s1
InChIKey XQIZEBMEHHETSW-AMRKSYTLSA-N
Molecular Weight 232.279 g/mol
SMILES O[C@]1(CC(O[C@](\C=C\c2ccc(cc2)C)(C1)[H])=O)[H]
SPLASH splash10-016u-2900000000-f55150cefd4abcb138b0
Source of Spectrum AJ-68-359-2
Synonyms (4R,6S)-4-hydroxy-6-[(E)-2-(4-methylphenyl)ethenyl]tetrahydro-2H-pyran-2-one (E,3R,5S)-3,5-Dihydroxy-7-(4-methylphenyl)-6-heptenoic acid 1,5-lactone (E,3S,5R)-3,5-Dihydroxy-7-(4-merthylphenyl)-6-heptenoic acid 1,5-lactone (E,3S,5R)-3,5-Dihydroxy-7-(4-methylphenyl)-6-heptenoic acid 1,5-lactone
Wiley ID 773010