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(8E,10E,12E)-HEPTADECATRIENE-4,6-DIYN-1,14-DIOL;CICUTOXIN

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(8E,10E,12E)-HEPTADECATRIENE-4,6-DIYN-1,14-DIOL;CICUTOXIN
SpectraBase Compound ID Dttjx0Lyu8T
InChI InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4-,10-8+,15-12+
InChIKey FQVNSJQTSOVRKZ-HGBMKXHTSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0ceYrtvsVs
Name (8E,10E,12E)-HEPTADECATRIENE-4,6-DIYN-1,14-DIOL;CICUTOXIN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4-,10-8+,15-12+
InChIKey FQVNSJQTSOVRKZ-HGBMKXHTSA-N
Literature Reference Author U.WITTSTOCK,F.HADACEK,G.WURZ,E.TEUSCHER,H.GREGER
Literature Reference Citation PLANTA.MED.,61,439(1995)
Literature Reference DOI 10.1055/s-2006-958132
Molecular Weight 258.360 g/mol
Solvent CDCl3
Source File Reference UIAP729