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(E)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-6-METHYL-8-EXO-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-6-METHYL-8-EXO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID
SpectraBase Compound ID 9QAfvdebiXV
InChI InChI=1S/C23H34O4/c1-15-18(9-6-10-21(26)27)23(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 VXRUERUGLCOSHG-ZNKRMWFKSA-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 6K5HGZxNGSA
Name (Z)-(3'S,1S,2S,3R,6S)-4-[2-(3'-HYDROXY-3'-CYClOHEXYLPROP-1'-YNYL]-3-HYDROXY-6-METHYL-8-EXO-METHYLBICYClO-[4.2.0]-OCT-7-YLIDENE]-BUTANOIC-ACID
Compound Number 52
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-15-18(9-6-10-21(26)27)23(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 VXRUERUGLCOSHG-ZNKRMWFKSA-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 UWCP1569