Mycophenolic Acid Acyl-b-D-glucoside

Analyte Name

Mycophenolic Acid Acyl-beta-D-glucoside

CAS Number

344562-78-3

Molecular Formula

C23 H30 O11

Molecular Weight

482.48

Accurate Mass

482.1788

SMILES

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

InChI

InChI=1S/C23H30O11/c1-10(5-7-15(25)34-23-20(29)19(28)18(27)14(8-24)33-23)4-6-12-17(26)16-13(9-32-22(16)30)11(2)21(12)31-3/h4,14,18-20,23-24,26-29H,5-9H2,1-3H3/b10-4+/t14-,18-,19+,20-,23+/m1/s1

IUPAC

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoate

Storage Temperature

-86°C

Shipping Temperature

Dry ice

Country of Origin

CANADA

Product Format

Neat