Mycophenolate Mofetil beta-D-O-Glucuronide

Analyte Name

Mycophenolate Mofetil beta-D-O-Glucuronide

Molecular Formula

C29 H39 N O13

Molecular Weight

609.619

Accurate Mass

609.242

SMILES

COc1c(C)c2COC(=O)c2c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)c1C\C=C(/C)\CCC(=O)OCCN4CCOCC4

InChI

InChI=1S/C29H39NO13/c1-15(5-7-19(31)40-13-10-30-8-11-39-12-9-30)4-6-17-24(38-3)16(2)18-14-41-28(37)20(18)25(17)42-29-23(34)21(32)22(33)26(43-29)27(35)36/h4,21-23,26,29,32-34H,5-14H2,1-3H3,(H,35,36)/b15-4+/t21-,22-,23+,26-,29+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[6-methoxy-7-methyl-5-[(E)-3-methyl-6-(2-morpholin-4-ylethoxy)-6-oxohex-2-enyl]-3-oxo-1H-2-benzofuran-4-yl]oxy]oxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat