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(+)-2Z,4E-5-[(1S)-3-CHLORO-1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYClOHEXEN-1-YL]-3-METHYL-2,4-PENTADIENOIC-ACID;3'-CHLORO-ABA

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(+)-2Z,4E-5-[(1S)-3-CHLORO-1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYClOHEXEN-1-YL]-3-METHYL-2,4-PENTADIENOIC-ACID;3'-CHLORO-ABA
SpectraBase Compound ID EhGKqfE03sH
InChI InChI=1S/C15H19ClO4/c1-9(7-12(18)19)5-6-15(20)10(2)13(16)11(17)8-14(15,3)4/h5-7,20H,8H2,1-4H3,(H,18,19)/b6-5+,9-7-/t15-/m1/s1
InChIKey WCZPRTYVBYYCOO-QMQPWKDKSA-N
Mol Weight 298.77 g/mol
Molecular Formula C15H19ClO4
Exact Mass 298.097187 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G71EzKxXGGv
Name (+)-2Z,4E-5-[(1S)-3-CHLORO-1-HYDROXY-2,6,6-TRIMETHYL-4-OXO-2-CYClOHEXEN-1-YL]-3-METHYL-2,4-PENTADIENOIC-ACID;3'-CHLORO-ABA
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H19ClO4
InChI InChI=1S/C15H19ClO4/c1-9(7-12(18)19)5-6-15(20)10(2)13(16)11(17)8-14(15,3)4/h5-7,20H,8H2,1-4H3,(H,18,19)/b6-5+,9-7-/t15-/m1/s1
InChIKey WCZPRTYVBYYCOO-QMQPWKDKSA-N
Literature Reference Author S.ARAI,Y.TODOROKI,S.IBARAKI,Y.NAOE,N.HIRAI,H.OHIGASHI
Literature Reference Citation PHYTOCHEM.,52,1185(1999)
Literature Reference DOI 10.1016/S0031-9422(99)00444-6
Molecular Weight 298.766 g/mol
Solvent ACETONE-D6
Source File Reference UWVN403