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2-[2-[3-HYDROXY-4-(2-HYDROXY-1-METHYLETHYL)-BENZOQUINONE-2,5]-YL-2,6,6-TRIMETHYL-CYCLOHEXYL]-ETHANOIC-ACID
SpectraBase Compound ID E4a6FtwyuHl
InChI InChI=1S/C20H28O6/c1-11(10-21)16-13(22)8-12(17(25)18(16)26)20(4)7-5-6-19(2,3)14(20)9-15(23)24/h8,11,14,21,26H,5-7,9-10H2,1-4H3,(H,23,24)
InChIKey WQOGUHVQTGRPLN-UHFFFAOYSA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H28O6
Exact Mass 364.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aceTR27Orj
Name 2-[2-[3-HYDROXY-4-(2-HYDROXY-1-METHYLETHYL)-BENZOQUINONE-2,5]-YL-2,6,6-TRIMETHYL-CYCLOHEXYL]-ETHANOIC-ACID
Compound Number 15A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-11(10-21)16-13(22)8-12(17(25)18(16)26)20(4)7-5-6-19(2,3)14(20)9-15(23)24/h8,11,14,21,26H,5-7,9-10H2,1-4H3,(H,23,24)
InChIKey WQOGUHVQTGRPLN-UHFFFAOYSA-N
Literature Reference Author R.H.BURNELL,A.ANDERSEN,M.NERON,S.SAVARD
Literature Reference Citation CAN.J.CHEM.,63,2769(1985)
Literature Reference DOI 10.1139/v85-461
Molecular Weight 364.439 g/mol
Solvent CDCl3
Source File Reference UWED4620