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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H28O12
Molecular Weight 496.4612
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MYCOPHENOLIC ACID ACYL GLUCURONIDE

SMILES

COC1=C(C\C=C(/C)CCC(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C(O)=C3C(=O)OCC3=C1C

InChI

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

HIDE SMILES / InChI

Molecular Formula C23H28O12
Molecular Weight 496.4612
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
B96732OXNA
Record Status Validated (UNII)
Record Version