Analyte Name

5-(Z)-7-(4-o-Hydroxyphenyl-2-trifluoromethyl-1,3 dioxan-cis-5-yl)heptenoic Acid

CAS Number

106393-80-0

Molecular Formula

C18H21F3O5

Molecular Weight

374.35

Accurate Mass

374.13

SMILES

C(/C=C\CCCC(O)=O)[C@@H]1[C@@H](O[C@H]([C@@](F)(F)F)OC1)C2=C(O)C=CC=C2

InChI

InChI=1/C18H21F3O5/c19-18(20,21)17-25-11-12(7-3-1-2-4-10-15(23)24)16(26-17)13-8-5-6-9-14(13)22/h1,3,5-6,8-9,12,16-17,22H,2,4,7,10-11H2,(H,23,24)/b3-1-/t12-,16+,17+/s2

IUPAC

(Z)-7-((2R,4R,5S)-4-(2-hydroxyphenyl)-2-(trifluoromethyl)-1,3-dioxan-5-yl)hept-5-enoic acid

Country of Origin

CANADA

Product Format

Neat