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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30O11
Molecular Weight 482.4777
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of MYCOPHENOLIC ACID 7-O-GLUCOSIDE

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C1C\C=C(/C)CCC(O)=O

InChI

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

HIDE SMILES / InChI

Molecular Formula C23H30O11
Molecular Weight 482.4777
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 Fri Dec 15 16:24:38 UTC 2023
Edited
by admin
on Fri Dec 15 16:24:38 UTC 2023
Record UNII
A63Y3157JG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MYCOPHENOLIC ACID 7-O-GLUCOSIDE
Common Name English
MYCOPHENOLIC ACID GLUCOSIDE
Common Name English
4-HEXENOIC ACID, 6-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,3-DIHYDRO-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-, (4E)-
Common Name English
6-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-1,3-DIHYDRO-6-METHOXY-7-METHYL-3-OXO-5-ISOBENZOFURANYL)-4-METHYL-4-HEXENOIC ACID, (4E)-
Common Name English
Code System Code Type Description
FDA UNII
A63Y3157JG
Created by admin on Fri Dec 15 16:24:38 UTC 2023 , Edited by admin on Fri Dec 15 16:24:38 UTC 2023
PRIMARY
CAS
55533-52-3
Created by admin on Fri Dec 15 16:24:38 UTC 2023 , Edited by admin on Fri Dec 15 16:24:38 UTC 2023
PRIMARY
PUBCHEM
71750874
Created by admin on Fri Dec 15 16:24:38 UTC 2023 , Edited by admin on Fri Dec 15 16:24:38 UTC 2023
PRIMARY
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