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(5Z,8Z,14Z;10R,11R,12R)-Methyl 10,11,12-Trihydroxyeicosa-5,8,14-trienoate
SpectraBase Compound ID 9eYsOfCkqUF
InChI InChI=1S/C21H36O5/c1-3-4-5-6-9-12-15-18(22)21(25)19(23)16-13-10-7-8-11-14-17-20(24)26-2/h7-9,12-13,16,18-19,21-23,25H,3-6,10-11,14-15,17H2,1-2H3/b8-7-,12-9-,16-13-/t18-,19-,21-/m1/s1
InChIKey XFNYJCFBWCYBOW-NESJBANDSA-N
Mol Weight 368.5 g/mol
Molecular Formula C21H36O5
Exact Mass 368.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IwD9L7zSMLT
Name (5Z,8Z,14Z;10R,11R,12R)-Methyl 10,11,12-Trihydroxyeicosa-5,8,14-trienoate
Alternate Name(s) Methyl (5Z,8Z,10R,11R,12R,14Z)-10,11,12-trihydroxy-5,8,14-icosatrienoate Methyl (5Z,8Z,10R,11R,12R,14Z)-10,11,12-trihydroxyicosa-5,8,14-trienoate Methyl (5Z,8Z,10R,11R,12R,14Z)-10,11,12-tris(oxidanyl)icosa-5,8,14-trienoate
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Formula C21H36O5
InChI InChI=1S/C21H36O5/c1-3-4-5-6-9-12-15-18(22)21(25)19(23)16-13-10-7-8-11-14-17-20(24)26-2/h7-9,12-13,16,18-19,21-23,25H,3-6,10-11,14-15,17H2,1-2H3/b8-7-,12-9-,16-13-/t18-,19-,21-/m1/s1
InChIKey XFNYJCFBWCYBOW-NESJBANDSA-N
Molecular Weight 368.514 g/mol
SMILES O[C@@]([C@@]([C@](O)(C\C=C/CCCCC)[H])(O)[H])(\C=C/C\C=C/CCCC(=O)OC)[H]
SPLASH splash10-0a4i-9002000000-d88508acc3d50786baef
Source of Spectrum KC-1992-2707-11
Wiley ID 776966