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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20O9
Molecular Weight 428.3888
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HESPERETIN TRIACETATE

SMILES

COC1=C(OC(C)=O)C=C(C=C1)[C@@H]2CC(=O)C3=C(OC(C)=O)C=C(OC(C)=O)C=C3O2

InChI

InChIKey=JXQZPLOAXXMSJR-SFHVURJKSA-N
InChI=1S/C22H20O9/c1-11(23)28-15-8-20(30-13(3)25)22-16(26)10-18(31-21(22)9-15)14-5-6-17(27-4)19(7-14)29-12(2)24/h5-9,18H,10H2,1-4H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H20O9
Molecular Weight 428.3888
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 12:49:55 GMT 2023
Edited
by admin
on Sat Dec 16 12:49:55 GMT 2023
Record UNII
Q46415WKZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HESPERETIN TRIACETATE
Common Name English
3',5,7-TRIACETOXY-4'-HYDROXYFLAVANONE
Systematic Name English
NSC-37458
Code English
(2S)-5,7-BIS(ACETYLOXY)-2-(3-(ACETYLOXY)-4-METHOXYPHENYL)-2,3-DIHYDRO-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
TRI-O-ACETYLHESPERETIN
Common Name English
4H-1-BENZOPYRAN-4-ONE, 5,7-BIS(ACETYLOXY)-2-(3-(ACETYLOXY)-4-METHOXYPHENYL)-2,3-DIHYDRO-, (2S)-
Systematic Name English
Code System Code Type Description
FDA UNII
Q46415WKZP
Created by admin on Sat Dec 16 12:49:55 GMT 2023 , Edited by admin on Sat Dec 16 12:49:55 GMT 2023
PRIMARY
NSC
37458
Created by admin on Sat Dec 16 12:49:55 GMT 2023 , Edited by admin on Sat Dec 16 12:49:55 GMT 2023
PRIMARY
PUBCHEM
69636311
Created by admin on Sat Dec 16 12:49:55 GMT 2023 , Edited by admin on Sat Dec 16 12:49:55 GMT 2023
PRIMARY
CAS
6274-73-3
Created by admin on Sat Dec 16 12:49:55 GMT 2023 , Edited by admin on Sat Dec 16 12:49:55 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
73489-97-1
Created by admin on Sat Dec 16 12:49:55 GMT 2023 , Edited by admin on Sat Dec 16 12:49:55 GMT 2023
PRIMARY
EPA CompTox
DTXSID70741039
Created by admin on Sat Dec 16 12:49:55 GMT 2023 , Edited by admin on Sat Dec 16 12:49:55 GMT 2023
PRIMARY