3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-Beta-D-glucuronide Methyl Ester

Analyte Name

3-O-Acetyl Ezetimibe 2,3,4-Tri-O-acetyl-Beta-D-glucuronide Meth

CAS Number

190448-56-7

Molecular Formula

C39 H39 F2 N O13

Molecular Weight

767.72

Accurate Mass

767.2389

SMILES

COC(=O)[C@H]1O[C@@H](Oc2ccc(cc2)[C@@H]3[C@@H](CC[C@H](OC(=O)C)c4ccc(F)cc4)C(=O)N3c5ccc(F)cc5)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

InChI

InChI=1S/C39H39F2NO13/c1-20(43)50-31(24-6-10-26(40)11-7-24)19-18-30-32(42(37(30)47)28-14-12-27(41)13-15-28)25-8-16-29(17-9-25)54-39-36(53-23(4)46)34(52-22(3)45)33(51-21(2)44)35(55-39)38(48)49-5/h6-17,30-36,39H,18-19H2,1-5H3/t30-,31+,32-,33+,34+,35+,36-,39-/m1/s1

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[(2S,3R)-3-[(3S)-3-acetyloxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-oxoazetidin-2-yl]phenoxy]oxane-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat