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Mycophenolic Acid Acyl-Beta-D-glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS99043046
CAS99043-04-6
Structure
IUPAC Name(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid
Molecular Weight496.46
Molecular FormulaC23H28O12
Canonical SMILESCOc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)\CCC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O
InChIInChI=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
Accurate Mass496.1581
FormatNeat
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