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Details

Stereochemistry UNKNOWN
Molecular Formula C20H20O8
Molecular Weight 388.3688
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMATE C

SMILES

COc1ccc(/C(/[H])=C(\[H])/C(=O)OCC(=O)C(c2ccc(c(c2)O)O)OC)cc1O

InChI

InChIKey=CHXPHFPEBKXQNH-XBXARRHUSA-N
InChI=1S/C20H20O8/c1-26-18-7-3-12(9-16(18)23)4-8-19(25)28-11-17(24)20(27-2)13-5-6-14(21)15(22)10-13/h3-10,20-23H,11H2,1-2H3/b8-4+

HIDE SMILES / InChI

Molecular Formula C20H20O8
Molecular Weight 388.3688
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 1
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 15:02:13 UTC 2021
Edited
by admin
on Sat Jun 26 15:02:13 UTC 2021
Record UNII
40OO88SKHP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMATE C
Common Name English
2-PROPENOIC ACID, 3-(3-HYDROXY-4-METHOXYPHENYL)-, 3-(3,4-DIHYDROXYPHENYL)-3-METHOXY-2-OXOPROPYL ESTER, (2E)-(-)-
Systematic Name English
Code System Code Type Description
FDA UNII
40OO88SKHP
Created by admin on Sat Jun 26 15:02:13 UTC 2021 , Edited by admin on Sat Jun 26 15:02:13 UTC 2021
PRIMARY
PUBCHEM
5315877
Created by admin on Sat Jun 26 15:02:13 UTC 2021 , Edited by admin on Sat Jun 26 15:02:13 UTC 2021
PRIMARY
CAS
488804-01-9
Created by admin on Sat Jun 26 15:02:13 UTC 2021 , Edited by admin on Sat Jun 26 15:02:13 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT