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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)C2=C(C(=O)OC2)C(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

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
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:33:08 GMT 2023
Edited
by admin
on Sat Dec 16 09:33:08 GMT 2023
Record UNII
B96732OXNA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MYCOPHENOLIC ACID ACYL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANURONIC ACID, 1-((4E)-6-(1,3-DIHYDRO-4-HYDROXY-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-1-OXO-4-HEXENOATE)
Systematic Name English
Code System Code Type Description
CHEBI
64689
Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023
PRIMARY
PUBCHEM
10028772
Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023
PRIMARY
CAS
99043-04-6
Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023
PRIMARY
FDA UNII
B96732OXNA
Created by admin on Sat Dec 16 09:33:08 GMT 2023 , Edited by admin on Sat Dec 16 09:33:08 GMT 2023
PRIMARY
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