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(2E,4E,6E,10E,12E,14E,16E)-(9S,18R)-9-Hydroxy-18-methyl-19-(2,2,2-trifluoro-acetylamino)-nonadeca-2,4,6,10,12,14,16-heptaenoic acid methyl ester

View entire compound with spectra: 1 MS (GC)

(2E,4E,6E,10E,12E,14E,16E)-(9S,18R)-9-Hydroxy-18-methyl-19-(2,2,2-trifluoro-acetylamino)-nonadeca-2,4,6,10,12,14,16-heptaenoic acid methyl ester
SpectraBase Compound ID 8fGP2mlVWLp
InChI InChI=1S/C23H28F3NO4/c1-19(18-27-22(30)23(24,25)26)14-10-6-3-4-7-11-15-20(28)16-12-8-5-9-13-17-21(29)31-2/h3-15,17,19-20,28H,16,18H2,1-2H3,(H,27,30)/b6-3+,7-4+,9-5+,12-8+,14-10+,15-11+,17-13+/t19-,20-/m1/s1
InChIKey QDXNTGRMFVJSDB-ORIJBTFOSA-N
Mol Weight 439.48 g/mol
Molecular Formula C23H28F3NO4
Exact Mass 439.197043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5unoDofqi3C
Name (2E,4E,6E,10E,12E,14E,16E)-(9S,18R)-9-Hydroxy-18-methyl-19-(2,2,2-trifluoro-acetylamino)-nonadeca-2,4,6,10,12,14,16-heptaenoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H28F3NO4
InChI InChI=1S/C23H28F3NO4/c1-19(18-27-22(30)23(24,25)26)14-10-6-3-4-7-11-15-20(28)16-12-8-5-9-13-17-21(29)31-2/h3-15,17,19-20,28H,16,18H2,1-2H3,(H,27,30)/b6-3+,7-4+,9-5+,12-8+,14-10+,15-11+,17-13+/t19-,20-/m1/s1
InChIKey QDXNTGRMFVJSDB-ORIJBTFOSA-N
Molecular Weight 439.475 g/mol
SMILES N(C(C(F)(F)F)=O)C[C@@](\C=C\C=C\C=C\C=C\[C@@](O)(C\C=C\C=C\C=C\C(=O)OC)[H])(C)[H]
SPLASH splash10-0udi-0900000000-7aff82d777b69ecee907
Source of Spectrum QE-7-3371-22
Synonyms Methyl (2E,4E,6E,9S,10E,12E,14E,16E,18R)-9-hydroxy-18-methyl-19-[(trifluoroacetyl)amino]-2,4,6,10,12,14,16-nonadecaheptaenoate Methyl (2E,4E,6Z,9S,10E,12Z,14E,16E,18R)-9-Hydroxy-18-methyl-19-[(2,2,2-trifluoroacetyl)amino]-2,4,6,10,12,16-nonadecaheptaenoate
Wiley ID 845728