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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-, [1R-[1.alpha.,5.alpha.,8S*(2Z,4E)]]-
SpectraBase Compound ID DrwOP0pYq1q
InChI InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+/t13-,14-,15?/m0/s1
InChIKey IZGYIFFQBZWOLJ-KRGGASAHSA-N
Mol Weight 280.32 g/mol
Molecular Formula C15H20O5
Exact Mass 280.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DpCRAjZoDw
Name 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1.alpha.,5.alpha.,8S*(2Z,4E)]]-
CAS Registry Number 24394-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O5
InChI InChI=1S/C15H20O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6+/t13-,14-,15?/m0/s1
InChIKey IZGYIFFQBZWOLJ-KRGGASAHSA-N
Molecular Weight 280.320 g/mol
SMILES OC1(\C=C\C(=C\C(O)=O)C)[C@]2(C)CO[C@@]1(C)CC(=O)C2
SPLASH splash10-006x-8910000000-a5f6dcd8bacecb86928d
Source of Spectrum F-25-5904-1
Synonyms (2E,4E)-5-(8-Hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-2,4-pentadienoic acid (2E,4E)-5-(1,5-dimethyl-8-oxidanyl-3-oxidanylidene-6-oxabicyclo[3.2.1]octan-8-yl)-3-methyl-penta-2,4-dienoic acid (2E,4E)-5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl)-3-methyl-penta-2,4-dienoic acid (2E,4E)-5-(8-hydroxy-3-keto-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methyl-penta-2,4-dienoic acid 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1.alpha.,5.alpha.,8S*(Z,E)]]- 6-Oxabicyclo[3.2.1]octane, 2,4-pentadienoic acid deriv. Phaseic acid
Wiley ID 1283788