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(E)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-8-ENDO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID

View entire compound with spectra: 2 NMR

(E)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-8-ENDO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID
SpectraBase Compound ID LKMHOajLAJ7
InChI InChI=1S/C22H32O4/c1-14-16(8-5-9-21(25)26)17-10-13-20(24)18(22(14)17)11-12-19(23)15-6-3-2-4-7-15/h8,14-15,17-20,22-24H,2-7,9-10,13H2,1H3,(H,25,26)/b16-8+/t14-,17+,18-,19-,20+,22-/m1/s1
InChIKey IPHZMKYFKPDFPL-UURYSJKDSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5FOJ4aKmDP
Name (E)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-8-ENDO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-14-16(8-5-9-21(25)26)17-10-13-20(24)18(22(14)17)11-12-19(23)15-6-3-2-4-7-15/h8,14-15,17-20,22-24H,2-7,9-10,13H2,1H3,(H,25,26)/b16-8+/t14-,17+,18-,19-,20+,22-/m1/s1
InChIKey IPHZMKYFKPDFPL-UURYSJKDSA-N
Literature Reference Author H.Y.WU,K.A.M.WALKER,J.T.NELSON
Literature Reference Citation J.ORG.CHEM.,59,1389(1994)
Literature Reference DOI 10.1021/jo00085a031
Molecular Weight 360.494 g/mol
Solvent CDCl3
Source File Reference UWCP1565