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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18O4
Molecular Weight 298.3331
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Phenethyl ferulate

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OCCC2=CC=CC=C2)=C1

InChI

InChIKey=CZQNYPBIOHVQQN-CSKARUKUSA-N
InChI=1S/C18H18O4/c1-21-17-13-15(7-9-16(17)19)8-10-18(20)22-12-11-14-5-3-2-4-6-14/h2-10,13,19H,11-12H2,1H3/b10-8+

HIDE SMILES / InChI

Molecular Formula C18H18O4
Molecular Weight 298.3331
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 08:36:51 GMT 2023
Edited
by admin
on Sat Dec 16 08:36:51 GMT 2023
Record UNII
B49B43355J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenethyl ferulate
Common Name English
NSC-671193
Code English
2-Phenylethyl 3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
Systematic Name English
β-Phenethyl ferulate
Common Name English
2-Phenylethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Systematic Name English
2-Phenylethyl ferulate
Common Name English
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-phenylethyl ester
Systematic Name English
Phenylethyl-3-methylcaffeate
Common Name English
Ferulic acid phenethyl ester
Common Name English
NSC-666255
Code English
2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, 2-phenylethyl ester, (2E)-
Systematic Name English
Phenethyl-trans-ferulate
Common Name English
Code System Code Type Description
PUBCHEM
5284444
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
PRIMARY
CAS
132335-98-9
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
PRIMARY
FDA UNII
B49B43355J
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
PRIMARY
NSC
666255
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
PRIMARY
CAS
71835-85-3
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
EPA CompTox
DTXSID8021143
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
PRIMARY
NSC
671193
Created by admin on Sat Dec 16 08:36:52 GMT 2023 , Edited by admin on Sat Dec 16 08:36:52 GMT 2023
PRIMARY