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15-Deoxy-12-hydroxy-10-(trifluoromethyl).delta.(7)-PGA(1) methyl ester
SpectraBase Compound ID K6FogFj6ek2
InChI InChI=1S/C22H31F3O4/c1-3-4-5-6-9-12-15-21(28)16-18(22(23,24)25)20(27)17(21)13-10-7-8-11-14-19(26)29-2/h12-13,15-16,28H,3-11,14H2,1-2H3/b15-12+,17-13+/t21-/m1/s1
InChIKey QWIBLXQCGONWDH-MVFNLWQBSA-N
Mol Weight 416.48 g/mol
Molecular Formula C22H31F3O4
Exact Mass 416.217444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4XAyR1rsZ8
Name 15-Deoxy-12-hydroxy-10-(trifluoromethyl).delta.(7)-PGA(1) methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C22H31F3O4
InChI InChI=1S/C22H31F3O4/c1-3-4-5-6-9-12-15-21(28)16-18(22(23,24)25)20(27)17(21)13-10-7-8-11-14-19(26)29-2/h12-13,15-16,28H,3-11,14H2,1-2H3/b15-12+,17-13+/t21-/m1/s1
InChIKey QWIBLXQCGONWDH-MVFNLWQBSA-N
Molecular Weight 416.481 g/mol
SMILES O[C@@]1(C=C(C(\C1=C\CCCCCC(=O)OC)=O)C(F)(F)F)\C=C\CCCCCC
SPLASH splash10-014i-0001900000-704ec9c08de00ceb0473
Source of Spectrum J-63-5975-3
Synonyms 7-[(R)-2-Hydroxy-2-((E)-oct-1-enyl)-5-oxo-4-trifluoromethyl-cyclopent-3-en-(Z)-ylidene]-heptanoic acid methyl ester methyl (7Z,13E)-12-hydroxy-9-oxo-10-(trifluoromethyl)prosta-7,10,13-trien-1-oate
Wiley ID 1376326