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

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H36O7
Molecular Weight 484.5812
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HESPERETIN 7-LAURATE

SMILES

CCCCCCCCCCCC(=O)OC1=CC2=C(C(=O)C[C@H](O2)C3=CC=C(OC)C(O)=C3)C(O)=C1

InChI

InChIKey=GTDNJVCQKKOHOA-VWLOTQADSA-N
InChI=1S/C28H36O7/c1-3-4-5-6-7-8-9-10-11-12-27(32)34-20-16-22(30)28-23(31)18-25(35-26(28)17-20)19-13-14-24(33-2)21(29)15-19/h13-17,25,29-30H,3-12,18H2,1-2H3/t25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H36O7
Molecular Weight 484.5812
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:01:45 GMT 2023
Edited
by admin
on Sat Dec 16 04:01:45 GMT 2023
Record UNII
O5K2NJA79B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HESPERETIN 7-LAURATE
Common Name English
DODECANOIC ACID, (2S)-3,4-DIHYDRO-5-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4-OXO-2H-1-BENZOPYRAN-7-YL ESTER
Common Name English
2,3-DIHYDRO-5,7-HYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-4H-1-BENZOPYRAN-4-ONE, MONO-(7) ESTER
Common Name English
Code System Code Type Description
CAS
236104-52-2
Created by admin on Sat Dec 16 04:01:46 GMT 2023 , Edited by admin on Sat Dec 16 04:01:46 GMT 2023
PRIMARY
EPA CompTox
DTXSID40178277
Created by admin on Sat Dec 16 04:01:46 GMT 2023 , Edited by admin on Sat Dec 16 04:01:46 GMT 2023
PRIMARY
PUBCHEM
57495091
Created by admin on Sat Dec 16 04:01:46 GMT 2023 , Edited by admin on Sat Dec 16 04:01:46 GMT 2023
PRIMARY
FDA UNII
O5K2NJA79B
Created by admin on Sat Dec 16 04:01:46 GMT 2023 , Edited by admin on Sat Dec 16 04:01:46 GMT 2023
PRIMARY