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5,9,11,14,17-Eicosapentaenoic acid, 8-hydroxy-, ethyl ester, [R-(E,Z,Z,Z,Z)]-
SpectraBase Compound ID FaRdzX1izhb
InChI InChI=1S/C22H34O3/c1-3-5-6-7-8-9-10-11-12-15-18-21(23)19-16-13-14-17-20-22(24)25-4-2/h5-6,8-9,11-13,15-16,18,21,23H,3-4,7,10,14,17,19-20H2,1-2H3/b6-5-,9-8-,12-11-,16-13+,18-15-/t21-/m0/s1
InChIKey VPHFTRIAHMFYGR-YNQMKRHOSA-N
Mol Weight 346.5 g/mol
Molecular Formula C22H34O3
Exact Mass 346.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6rqRKDDWVUb
Name 5,9,11,14,17-Eicosapentaenoic acid, 8-hydroxy-, ethyl ester, [R-(E,Z,Z,Z,Z)]-
CAS Registry Number 117333-01-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O3
InChI InChI=1S/C22H34O3/c1-3-5-6-7-8-9-10-11-12-15-18-21(23)19-16-13-14-17-20-22(24)25-4-2/h5-6,8-9,11-13,15-16,18,21,23H,3-4,7,10,14,17,19-20H2,1-2H3/b6-5-,9-8-,12-11-,16-13+,18-15-/t21-/m0/s1
InChIKey VPHFTRIAHMFYGR-YNQMKRHOSA-N
Molecular Weight 346.511 g/mol
SMILES O[C@@](\C=C/C=C\C\C=C/C\C=C/CC)(C\C=C\CCCC(=O)OCC)[H]
SPLASH splash10-0006-9000000000-d4ce5cef12929221babb
Source of Spectrum H-71-1099-0
Synonyms Ethyl (+)-(8R,5Z,9E,11Z,14Z,17Z)-8-hydroxy-5,9,11,14,17-eicosapentaenoate ethyl (5E,8R,9Z,11Z,14Z,17Z)-8-hydroxy-5,9,11,14,17-icosapentaenoate
Wiley ID 1339632