Hesperetin, triacetate
Basic information
- CAS
6274-73-3- Standard SMILES
COc1ccc([C@H]2CC(=O)c3c(OC(C)=O)cc(OC(C)=O)cc3O2)cc1OC(C)=O- InChIKey
JXQZPLOAXXMSJR-GOSISDBHSA-N- Molecular formula
- C22H20O9
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.11073221
Names & identifiers
- Preferred name
- Hesperetin, triacetate
- IUPAC
- [(2R)-5-acetyloxy-2-(3-acetyloxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl] acetate
Names & synonyms
HESPERETIN, TRIACETATE6274-73-3NSC 374583',5,7-Triacetoxy-4'-hydroxyflavanone[(2R)-5-acetoxy-2-(3-acetoxy-4-methoxy-phenyl)-4-oxo-chroman-7-yl] acetate
Database identifiers
- CAS
6274-73-3- PubChem CID
- 457809
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 705
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Compound notes
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