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METHYL-(16S)-HYDROXY-9-OXO-(10E,12E,14E)-OCTADECATRIENOATE
SpectraBase Compound ID Fo9SDNdhgv1
InChI InChI=1S/C19H30O4/c1-3-17(20)13-9-7-8-11-15-18(21)14-10-5-4-6-12-16-19(22)23-2/h7-9,11,13,15,17,20H,3-6,10,12,14,16H2,1-2H3/b8-7-,13-9+,15-11+
InChIKey QHRXFYSBCPHVSL-HLHBTITDSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CNcuMBenlRh
Name METHYL-(16S)-HYDROXY-9-OXO-(10E,12E,14E)-OCTADECATRIENOATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-3-17(20)13-9-7-8-11-15-18(21)14-10-5-4-6-12-16-19(22)23-2/h7-9,11,13,15,17,20H,3-6,10,12,14,16H2,1-2H3/b8-7-,13-9+,15-11+
InChIKey QHRXFYSBCPHVSL-HLHBTITDSA-N
Literature Reference Author M.W.BERNART,G.G.WHATLEY,W.H.GERWICK
Literature Reference Citation J.NAT.PROD.,56,245(1993)
Literature Reference DOI 10.1021/np50092a010
Molecular Weight 322.445 g/mol
Solvent CDCl3
Source File Reference UWTS1176