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(Z)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-6-METHOXY-8-ENDO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID
SpectraBase Compound ID 9RPFanYVeNB
InChI InChI=1S/C23H34O5/c1-15-18(9-6-10-21(26)27)23(28-2)14-13-20(25)17(22(15)23)11-12-19(24)16-7-4-3-5-8-16/h9,15-17,19-20,22,24-25H,3-8,10,13-14H2,1-2H3,(H,26,27)/b18-9+/t15-,17+,19-,20-,22-,23+/m0/s1
InChIKey CKDKVAQWSOXDAV-LJMZBKGPSA-N
Mol Weight 390.5 g/mol
Molecular Formula C23H34O5
Exact Mass 390.240624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JONh5McYDSp
Name (Z)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-6-METHOXY-8-ENDO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H34O5
InChI InChI=1S/C23H34O5/c1-15-18(9-6-10-21(26)27)23(28-2)14-13-20(25)17(22(15)23)11-12-19(24)16-7-4-3-5-8-16/h9,15-17,19-20,22,24-25H,3-8,10,13-14H2,1-2H3,(H,26,27)/b18-9+/t15-,17+,19-,20-,22-,23+/m0/s1
InChIKey CKDKVAQWSOXDAV-LJMZBKGPSA-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 390.520 g/mol
Solvent CDCl3
Source File Reference UWCP1568