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SODIUM-SALT-OF-(Z)-STELLETTIC-ACID-C;SODIUM-SALT-OF-(Z)-12-METHYLOCTADECA-7,17-DIEN-5-YNOIC-ACID
SpectraBase Compound ID FxNh4TMZrVd
InChI InChI=1S/C19H30O2.Na/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21;/h3,6,8,18H,1,4-5,10-17H2,2H3,(H,20,21);/q;+1/p-1/b8-6+;
InChIKey JQSZSHDRSJUJII-WVLIHFOGSA-M
Mol Weight 312.43 g/mol
Molecular Formula C19H29NaO2
Exact Mass 312.206524 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EM1O3BQ7K32
Name SODIUM-SALT-OF-(Z)-STELLETTIC-ACID-C;SODIUM-SALT-OF-(Z)-12-METHYLOCTADECA-7,17-DIEN-5-YNOIC-ACID
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H29NaO2
InChI InChI=1S/C19H30O2.Na/c1-3-4-5-12-15-18(2)16-13-10-8-6-7-9-11-14-17-19(20)21;/h3,6,8,18H,1,4-5,10-17H2,2H3,(H,20,21);/q;+1/p-1/b8-6+;
InChIKey JQSZSHDRSJUJII-WVLIHFOGSA-M
Literature Reference Author Q.ZHAO,S.Y.LEE,J.HONG,C.O.LEE,K.S.IM,C.J.SIM,D.S.LEE,J.H.JUN G
Literature Reference Citation J.NAT.PROD.,66,408(2003)
Literature Reference DOI 10.1021/np020440z
Molecular Weight 312.428 g/mol
Solvent CD3OD
Source File Reference UWSI4677