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Methyl 12(S)-hydroxy-5(Z),8(E),10(E),14(Z)-eicosatetraenoate
SpectraBase Compound ID 2s9f2cqWkOA
InChI InChI=1S/C21H34O3/c1-3-4-5-6-11-14-17-20(22)18-15-12-9-7-8-10-13-16-19-21(23)24-2/h8-12,14-15,18,20,22H,3-7,13,16-17,19H2,1-2H3/b10-8-,12-9+,14-11-,18-15+/t20-/m0/s1
InChIKey LVROTUSMCTWPNI-FOPAPSODSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2oQSjudNMRT
Name Methyl 12(S)-hydroxy-5(Z),8(E),10(E),14(Z)-eicosatetraenoate
CAS Registry Number 57872-14-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-3-4-5-6-11-14-17-20(22)18-15-12-9-7-8-10-13-16-19-21(23)24-2/h8-12,14-15,18,20,22H,3-7,13,16-17,19H2,1-2H3/b10-8-,12-9+,14-11-,18-15+/t20-/m0/s1
InChIKey LVROTUSMCTWPNI-FOPAPSODSA-N
Molecular Weight 334.500 g/mol
SMILES O[C@](\C=C\C=C\C\C=C/CCCC(=O)OC)(C\C=C/CCCCC)[H]
SPLASH splash10-0a4i-0920000000-f011453dc0a582c58eec
Source of Spectrum J-51-4801-15
Synonyms Methyl (5Z,8E,10E,12S,14Z)-12-hydroxy-5,8,10,14-icosatetraenoate
Wiley ID 1331337