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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]-PENTANOIC-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]-PENTANOIC-ACID
SpectraBase Compound ID FrAbfoDFIJz
InChI InChI=1S/C23H34O4/c1-15-17(9-5-6-10-22(26)27)18-11-14-21(25)19(23(15)18)12-13-20(24)16-7-3-2-4-8-16/h9,15-16,18-21,23-25H,2-8,10-11,14H2,1H3,(H,26,27)/b17-9+/t15-,18+,19-,20-,21+,23-/m1/s1
InChIKey MLAWTHBKEGLCBR-KKZQTLKKSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jvqw5kdOuSa
Name (Z)-(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]-PENTANOIC-ACID
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-15-17(9-5-6-10-22(26)27)18-11-14-21(25)19(23(15)18)12-13-20(24)16-7-3-2-4-8-16/h9,15-16,18-21,23-25H,2-8,10-11,14H2,1H3,(H,26,27)/b17-9+/t15-,18+,19-,20-,21+,23-/m1/s1
InChIKey MLAWTHBKEGLCBR-KKZQTLKKSA-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 374.521 g/mol
Solvent CDCl3
Source File Reference UWCP1566