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2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-

View entire compound with spectra: 1 NMR, and 4 MS (GC)

2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-
SpectraBase Compound ID 9LdlQZ6aij6
InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
InChIKey JLIDBLDQVAYHNE-WEYXYWBQSA-N
Mol Weight 264.32 g/mol
Molecular Formula C15H20O4
Exact Mass 264.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DpzfSV26zBb
Name 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, [S-(Z,E)]-
CAS Registry Number 21293-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20O4
InChI InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7+
InChIKey JLIDBLDQVAYHNE-WEYXYWBQSA-N
Molecular Weight 264.321 g/mol
SMILES OC1(\C=C\C(=C\C(=O)O)C)C(C)(C)CC(=O)C=C1C
SPLASH splash10-06r6-9810000000-483439db950e51fdda19
Source of Spectrum JC-503-463-3
Synonyms (+)-2-cis,4-trans-Abscisic acid (+)-Abscisin ii (+)-cis-Abscisic acid (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-oxidanyl-4-oxidanylidene-cyclohex-2-en-1-yl)penta-2,4-dienoic acid (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-2,4-pentadienoic acid (2E,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoic acid (2E,4E)-5-(1-hydroxy-4-keto-2,6,6-trimethyl-cyclohex-2-en-1-yl)-3-methyl-penta-2,4-dienoic acid (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid (S)-(+)-Abscisic acid (S-(Z,E))-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid ABA ABK Abscisate Abscisic acid Abscisic acid, (+)- Abscisin II Acide abscisique cis-Abscisic acid cis-trans-(+)-Abscissic acid Dormin Dormin (abscission factor) BRN 2698956 EINECS 244-319-5 NSC 146877 NSC 148832
Wiley ID 1267925