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2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1.alpha.,5.alpha.,8S*(2Z,4E)]-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1.alpha.,5.alpha.,8S*(2Z,4E)]-(.+-.)-
SpectraBase Compound ID Kw5kKH4wy3s
InChI InChI=1S/C16H22O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,19H,8-10H2,1-4H3/b6-5+,11-7-/t14-,15-,16-/m0/s1
InChIKey BGXJFSPEUCRBIH-YSBPSGIVSA-N
Mol Weight 294.35 g/mol
Molecular Formula C16H22O5
Exact Mass 294.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WKwBXman6u
Name 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, methyl ester, [1.alpha.,5.alpha.,8S*(2Z,4E)]-(.+-.)-
CAS Registry Number 107297-61-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O5
InChI InChI=1S/C16H22O5/c1-11(7-13(18)20-4)5-6-16(19)14(2)8-12(17)9-15(16,3)21-10-14/h5-7,19H,8-10H2,1-4H3/b6-5+,11-7-/t14-,15-,16-/m0/s1
InChIKey BGXJFSPEUCRBIH-YSBPSGIVSA-N
Molecular Weight 294.347 g/mol
SMILES O[C@]1([C@@]2(CO[C@]1(CC(=O)C2)C)C)\C=C\C(=C/C(=O)OC)C
SPLASH splash10-003r-8690000000-a2078577be5cf1f6f0c1
Source of Spectrum F-46-5553-1
Synonyms 6-Oxabicyclo[3.2.1]octane, 2,4-pentadienoic acid deriv. (+-)-Methyl phaseate (.+-.)-Phaseic acid methyl ester Methyl (.+-.)-Phaseate Methyl (2Z,4E)-5-[(1S,5S,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl]-3-methyl-2,4-pentadienoate
Wiley ID 1297135