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(6Z,8E,10E)-(5R,12S)-5,12-Dihydroxy-icosa-6,8,10-trienoic acid methyl ester
SpectraBase Compound ID B14DrNnqlqH
InChI InChI=1S/C21H36O4/c1-3-4-5-6-7-10-14-19(22)15-11-8-9-12-16-20(23)17-13-18-21(24)25-2/h8-9,11-12,15-16,19-20,22-23H,3-7,10,13-14,17-18H2,1-2H3/b9-8+,15-11+,16-12-/t19-,20-/m0/s1
InChIKey WWPLEMMBOVZIAQ-AAXPZIPGSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXeuBCW6y
Name (6Z,8E,10E)-(5R,12S)-5,12-Dihydroxy-icosa-6,8,10-trienoic acid methyl ester
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Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-3-4-5-6-7-10-14-19(22)15-11-8-9-12-16-20(23)17-13-18-21(24)25-2/h8-9,11-12,15-16,19-20,22-23H,3-7,10,13-14,17-18H2,1-2H3/b9-8+,15-11+,16-12-/t19-,20-/m0/s1
InChIKey WWPLEMMBOVZIAQ-AAXPZIPGSA-N
Molecular Weight 352.515 g/mol
SMILES O[C@](\C=C\C=C\C=C/[C@](O)(CCCC(=O)OC)[H])(CCCCCCCC)[H]
SPLASH splash10-002f-8900000000-05d8c0364e821e861c38
Source of Spectrum K-2002-195-2
Synonyms Methyl (5R,6Z,8E,10E,12S)-5,12-dihydroxy-6,8,10-icosatrienoate Methyl (6Z,8E,10E)-5,12-Dihydroxyeicosa-6,8,10-trienoate
Wiley ID 1580670