Mycophenolic acid-D3 acyl-beta-D-glucuronide (>90%)

Analyte Name

Mycophenolic Acid-d3 Acyl-beta-D-glucuronide

Molecular Formula

C23H25D3O12

Molecular Weight

499.48

Accurate Mass

499.18

SMILES

CC1=C(OC([2H])([2H])[2H])C(C/C=C(C)/CCC(O[C@H]2O[C@@H](C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)=O)=C(O)C3=C1COC3=O

InChI

InChI=1S/C23H28O12/c1-9(4-6-11-15(25)14-12(8-33-22(14)31)10(2)19(11)32-3)5-7-13(24)34-23-18(28)16(26)17(27)20(35-23)21(29)30/h4,16-18,20,23,25-28H,5-8H2,1-3H3,(H,29,30)/b9-4+/t16-,17-,18+,20-,23+/m1/s1/i3D3

IUPAC

(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(((E)-6-(4-hydroxy-6-(methoxy-d3)-7-methyl-3-oxo-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoyl)oxy)tetrahydro-2H-pyran-2-carboxylic acid

Unlabelled CAS Number

99043-04-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Mycophenolic Sodium