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Methyl (8S,9R,5Z,10Z,12E,14E,17Z)-8,9-Dihydroxy-5,10,12,14,17-eicosapentaenoate

View entire compound with spectra: 1 MS (GC)

Methyl (8S,9R,5Z,10Z,12E,14E,17Z)-8,9-Dihydroxy-5,10,12,14,17-eicosapentaenoate
SpectraBase Compound ID 4QRC71s8WgQ
InChI InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-13-16-19(22)20(23)17-14-11-12-15-18-21(24)25-2/h4-5,7-11,13-14,16,19-20,22-23H,3,6,12,15,17-18H2,1-2H3/b5-4-,8-7+,10-9+,14-11-,16-13-/t19-,20+/m1/s1
InChIKey QHBDMEMTBARLFX-CGHFDCKISA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzIH4uRc3nf
Name Methyl (8S,9R,5Z,10Z,12E,14E,17Z)-8,9-Dihydroxy-5,10,12,14,17-eicosapentaenoate
Alternate Name(s) Methyl (5Z,8S,9R,10Z,12E,14E,17Z)-8,9-dihydroxy-5,10,12,14,17-icosapentaenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-3-4-5-6-7-8-9-10-13-16-19(22)20(23)17-14-11-12-15-18-21(24)25-2/h4-5,7-11,13-14,16,19-20,22-23H,3,6,12,15,17-18H2,1-2H3/b5-4-,8-7+,10-9+,14-11-,16-13-/t19-,20+/m1/s1
InChIKey QHBDMEMTBARLFX-CGHFDCKISA-N
Molecular Weight 348.483 g/mol
SMILES O[C@@]([C@](C\C=C/CCCC(=O)OC)(O)[H])(\C=C/C=C/C=C/C\C=C/CC)[H]
SPLASH splash10-0a4i-0906000000-695d67508c7accde2750
Source of Spectrum F-50-7398-25
Wiley ID 1340874