Analyte Name

Rosuvastatin-d6 Acyl-beta-D-glucuronide

Molecular Formula

C28 D6 H30 F N3 O12 S

Molecular Weight

663.699

Accurate Mass

663.238

SMILES

[2H]C([2H])([2H])C(c1nc(nc(c1\C=C\[C@H](O)C[C@H](O)CC(=O)O[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2O)C(=O)O)c3ccc(F)cc3)N(C)S(=O)(=O)C)C([2H])([2H])[2H]

InChI

InChI=1S/C28H36FN3O12S/c1-13(2)20-18(21(14-5-7-15(29)8-6-14)31-28(30-20)32(3)45(4,41)42)10-9-16(33)11-17(34)12-19(35)43-27-24(38)22(36)23(37)25(44-27)26(39)40/h5-10,13,16-17,22-25,27,33-34,36-38H,11-12H2,1-4H3,(H,39,40)/b10-9+/t16-,17-,22+,23+,24-,25+,27-/m0/s1/i1D3,2D3

IUPAC

(2R,3R,4R,5S,6R)-6-[(E,3S,5R)-7-[4-(4-fluorophenyl)-6-(1,1,1,3,3,3-hexadeuteriopropan-2-yl)-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

503610-44-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat