U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H20O6
Molecular Weight 356.37
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CONIFERYL FERULATE

SMILES

COc1cc(/C(/[H])=C(\[H])/COC(=O)/C(/[H])=C(\[H])/c2ccc(c(c2)OC)O)ccc1O

InChI

InChIKey=PGLIMMMHQDNVRS-YZQQHVNFSA-N
InChI=1S/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+

HIDE SMILES / InChI

Molecular Formula C20H20O6
Molecular Weight 356.37
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 05:56:46 UTC 2021
Edited
by admin
on Sat Jun 26 05:56:46 UTC 2021
Record UNII
3SK9G87Y9Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONIFERYL FERULATE
Common Name English
2-PROPENOIC ACID, 3-(4-HYDROXY-3-METHOXYPHENYL)-, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPEN-1-YL ESTER
Systematic Name English
2-PROPENOIC ACID, 3-(4-HYDROXY-3-METHOXYPHENYL)-, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENYL ESTER
Common Name English
Code System Code Type Description
PUBCHEM
6441913
Created by admin on Sat Jun 26 05:56:46 UTC 2021 , Edited by admin on Sat Jun 26 05:56:46 UTC 2021
PRIMARY
FDA UNII
3SK9G87Y9Q
Created by admin on Sat Jun 26 05:56:46 UTC 2021 , Edited by admin on Sat Jun 26 05:56:46 UTC 2021
PRIMARY
CAS
63644-62-2
Created by admin on Sat Jun 26 05:56:46 UTC 2021 , Edited by admin on Sat Jun 26 05:56:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
Senkyunolide I, coniferyl ferulate, senkyunolide A, 3-butylphthalide, Z-butylidenephthalide and levistolide A were isolated from essential oil of Angelica sinensis.