Molecule: mycophenolic acid O-acyl-glucuronide
A carboxylic ester resulting from the formal condensation of the carboxylic acid group of mycophenolic acid with the anomeric hydroxy group of beta-D-glucuronic acid.
Synonyms for mycophenolic acid O-acyl-glucuronide :
AcMPAG
mycophenolic acid acyl glucuronide
mycophenolic acid acyl-glucuronide
mycophenolic acid-O-acyl-beta-D-glucopyranuronoside
Molecular Formula: C23H28O12
Molecular wt: 496.46120 g/mole
Charge: 0
SMILES: COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
InChIKey: QBMSTEZXAMABFF-UEARNRKISA-N
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+/m0/s1
Sample reactions for this molecule: