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(5-E,8-Z,14-E,18-E)-6,15-DIIODOICOSA-5,8,14,18-TETRAEN-11-YNOIC_ACID
SpectraBase Compound ID EZglfquUNYe
InChI InChI=1S/C20H26I2O2/c1-2-3-8-13-18(21)14-9-6-4-5-7-10-15-19(22)16-11-12-17-20(23)24/h2-3,7,10,14,16H,5,8-9,11-13,15,17H2,1H3,(H,23,24)/b3-2+,10-7-,18-14+,19-16+
InChIKey QBESJLXENXUVRP-KUHISMGOSA-N
Mol Weight 552.23 g/mol
Molecular Formula C20H26I2O2
Exact Mass 552.00222 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Av86GMSdZ2
Name (5-E,8-Z,14-E,18-E)-6,15-DIIODOICOSA-5,8,14,18-TETRAEN-11-YNOIC_ACID
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H26I2O2
InChI InChI=1S/C20H26I2O2/c1-2-3-8-13-18(21)14-9-6-4-5-7-10-15-19(22)16-11-12-17-20(23)24/h2-3,7,10,14,16H,5,8-9,11-13,15,17H2,1H3,(H,23,24)/b3-2+,10-7-,18-14+,19-16+
InChIKey QBESJLXENXUVRP-KUHISMGOSA-N
Literature Reference Author B.S.HWANG,K.LEE,C.YANG,E.J.JEONG,J.R.RHO
Literature Reference Citation J.NAT.PROD.,76,2355(2013)
Literature Reference DOI 10.1021/np400793r
Molecular Weight 552.234 g/mol
Solvent CDCl3
Source File Reference UWMZ43642