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(8S,9S,15R/S)-METHYL-9,15-DIHYDROXY-8-IODOEICOSA-12E,13E-DIEN-5-YNOATE
SpectraBase Compound ID COezkF4tp8P
InChI InChI=1S/C21H33IO4/c1-3-4-8-13-18(23)14-9-7-11-16-20(24)19(22)15-10-5-6-12-17-21(25)26-2/h7,9,11,14,18-20,23-24H,3-4,6,8,12-13,15-17H2,1-2H3/b11-7+,14-9+/t18?,19-,20+/m0/s1
InChIKey QGYCUGOVCBJOOB-KFIXAFTCSA-N
Mol Weight 476.4 g/mol
Molecular Formula C21H33IO4
Exact Mass 476.142355 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I1itEMH7hBG
Name (8S,9S,15R/S)-METHYL-9,15-DIHYDROXY-8-IODOEICOSA-12E,13E-DIEN-5-YNOATE
Compound Number 23
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H33IO4
InChI InChI=1S/C21H33IO4/c1-3-4-8-13-18(23)14-9-7-11-16-20(24)19(22)15-10-5-6-12-17-21(25)26-2/h7,9,11,14,18-20,23-24H,3-4,6,8,12-13,15-17H2,1-2H3/b11-7+,14-9+/t18?,19-,20+/m0/s1
InChIKey QGYCUGOVCBJOOB-KFIXAFTCSA-N
Literature Reference Author T.DURAND,A.GUY,J.P.VIDAL,J.C.ROSSI
Literature Reference Citation J.ORG.CHEM.,67,3615(2002)
Literature Reference DOI 10.1021/jo0109624
Molecular Weight 476.395 g/mol
Solvent CDCl3
Source File Reference UWSI21780