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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18O7
Molecular Weight 358.342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CIMIRACEMATE A

SMILES

COC1=C(O)C=C(\C=C\C(=O)OCC(=O)CC2=CC(O)=C(O)C=C2)C=C1

InChI

InChIKey=BZBZUGSXRITWQR-QPJJXVBHSA-N
InChI=1S/C19H18O7/c1-25-18-6-3-12(9-17(18)23)4-7-19(24)26-11-14(20)8-13-2-5-15(21)16(22)10-13/h2-7,9-10,21-23H,8,11H2,1H3/b7-4+

HIDE SMILES / InChI

Molecular Formula C19H18O7
Molecular Weight 358.342
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:32:42 UTC 2023
Edited
by admin
on Sat Dec 16 09:32:42 UTC 2023
Record UNII
P7969HTB05
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CIMIRACEMATE A
Common Name English
3,4-DIHYDROXYPHENYL-2-OXOPROPYL ISOFERULATE
Common Name English
CIMICIPHENOL
Common Name English
2-PROPENOIC ACID, 3-(3-HYDROXY-4-METHOXYPHENYL)-, 3-(3,4-DIHYDROXYPHENYL)-2-OXOPROPYL ESTER, (2E)-
Systematic Name English
Code System Code Type Description
FDA UNII
P7969HTB05
Created by admin on Sat Dec 16 09:32:42 UTC 2023 , Edited by admin on Sat Dec 16 09:32:42 UTC 2023
PRIMARY
CAS
478294-16-5
Created by admin on Sat Dec 16 09:32:42 UTC 2023 , Edited by admin on Sat Dec 16 09:32:42 UTC 2023
PRIMARY
PUBCHEM
5315874
Created by admin on Sat Dec 16 09:32:42 UTC 2023 , Edited by admin on Sat Dec 16 09:32:42 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT