4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]-O-benzyl Mono-Beta-D-glucuroniC Acid Methyl Ester 2,3,4-O-Triacetate

Analyte Name

4,4'-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]-O-benzyl Mono-beta-D-glucuroniC Acid Methyl Ester 2,3,4-O-Triacetate

Molecular Formula

C₃₅H₃₂F₆O₁₁

Molecular Weight

742.61

Accurate Mass

742.18

SMILES

FC(F)(F)C(C1=CC=C(OCC2=CC=CC=C2)C=C1)(C(F)(F)F)C3=CC=C(O[C@H]4[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](C(OC)=O)O4)C=C3

InChI

InChI=1S/C35H32F6O11/c1-19(42)48-27-28(49-20(2)43)30(50-21(3)44)32(52-29(27)31(45)46-4)51-26-16-12-24(13-17-26)33(34(36,37)38,35(39,40)41)23-10-14-25(15-11-23)47-18-22-8-6-5-7-9-22/h5-17,27-30,32H,18H2,1-4H3/t27?,28?,29?,30?,32-/m1/s1

IUPAC

(2S,3R,4S,5S,6S)-2-(4-(2-(4-(benzyloxy)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat