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SODIUM-SALT-OF-(Z)-STELLETTIC-ACID-B;SODIUM-SALT-OF-(Z)-(2S)-2-METHOXY-12-METHYLOCTADECA-7,17-DIEN-5-YNOIC-ACID
SpectraBase Compound ID CGoUujl4zUx
InChI InChI=1S/C20H32O3.Na/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22;/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22);/q;+1/p-1/b8-7+;/t18?,19-;/m0./s1
InChIKey RLSXKIUQYFNFBI-MQANJPIFSA-M
Mol Weight 342.45 g/mol
Molecular Formula C20H31NaO3
Exact Mass 342.217089 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID trKoULzUSM
Name SODIUM-SALT-OF-(Z)-STELLETTIC-ACID-B;SODIUM-SALT-OF-(Z)-(2S)-2-METHOXY-12-METHYLOCTADECA-7,17-DIEN-5-YNOIC-ACID
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H31NaO3
InChI InChI=1S/C20H32O3.Na/c1-4-5-6-12-15-18(2)16-13-10-8-7-9-11-14-17-19(23-3)20(21)22;/h4,7-8,18-19H,1,5-6,10,12-17H2,2-3H3,(H,21,22);/q;+1/p-1/b8-7+;/t18?,19-;/m0./s1
InChIKey RLSXKIUQYFNFBI-MQANJPIFSA-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 342.454 g/mol
Solvent CD3OD
Source File Reference UWSI4674