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ECHINOIC-ACID;(1E,3E,7E,11E)-8-CARBOXYL-1-ISOPROPYL-5,18-DIMETHYLCYClOTETRADECATETRAENE
SpectraBase Compound ID Dmd7c0yswnk
InChI InChI=1S/C20H30O2/c1-15(2)18-13-11-16(3)7-5-9-19(20(21)22)10-6-8-17(4)12-14-18/h7,10,12,14-15H,5-6,8-9,11,13H2,1-4H3,(H,21,22)/b16-7+,17-12+,18-14+,19-10+
InChIKey WPJBQAROQHYNMO-RWJKTBCBSA-N
Mol Weight 302.46 g/mol
Molecular Formula C20H30O2
Exact Mass 302.22458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JmGkrSVqy70
Name ECHINOIC-ACID;(1E,3E,7E,11E)-8-CARBOXYL-1-ISOPROPYL-5,18-DIMETHYLCYClOTETRADECATETRAENE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H30O2
InChI InChI=1S/C20H30O2/c1-15(2)18-13-11-16(3)7-5-9-19(20(21)22)10-6-8-17(4)12-14-18/h7,10,12,14-15H,5-6,8-9,11,13H2,1-4H3,(H,21,22)/b16-7+,17-12+,18-14+,19-10+
InChIKey WPJBQAROQHYNMO-RWJKTBCBSA-N
Literature Reference Author C.M.A.TANAKA,M.H.SARRAGIOTTO,J.ZUKERMAN-SCHPECTOR,A.J.MARSAI OLI
Literature Reference Citation PHYTOCHEM.,44,1547(1997)
Literature Reference DOI 10.1016/S0031-9422(96)00701-7
Molecular Weight 302.457 g/mol
Solvent CDCl3
Source File Reference UWAN100