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9,12,13-TRIHYDROXYOCTADECA-10-(E),15-(Z)-DIENOIC_ACID
SpectraBase Compound ID B04Fm1xTP1K
InChI InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
InChIKey MKYUCBXUUSZMQB-MKZMYESJSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ew8x5twOjPm
Name 9,12,13-TRIHYDROXYOCTADECA-10-(E),15-(Z)-DIENOIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+
InChIKey MKYUCBXUUSZMQB-MKZMYESJSA-N
Literature Reference Author M.H.OUESLATI,H.B.JANNET,Z.MIGHRI,J.CHRIAA,P.M.ABREU
Literature Reference Citation J.NAT.PROD.,69,1366(2006)
Literature Reference DOI 10.1021/np060222w
Molecular Weight 328.449 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWMZ15717