4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-

HCID 147288

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Basic information

CAS: 28736-80-3
Standard SMILES: COc1ccc(-c2cc(=O)c3c(OC(C)=O)c(OC)c(OC(C)=O)cc3o2)cc1
InChIKey: GSYWNORCKBQCIW-UHFFFAOYSA-N
Molecular formula: C21H18O8
Average molar mass: 398.4 g/mol
Monoisotopic mass: 398.10016753

Names & identifiers

Preferred name: 4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-
IUPAC: [5-acetyloxy-6-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate

Names & synonyms

4H-1-Benzopyran-4-one, 5,7-bis(acetyloxy)-6-methoxy-2-(4-methoxyphenyl)-28736-80-3Pectolinarigenin diacetateDi-O-acetylpectolinaringeninPectolinarigenin 5,7-diacetateDTXSID801828986-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-5,7-diyl diacetate

Database identifiers

CAS: 28736-80-3
PubChem CID: 147288
DTXSID: DTXSID80182898

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 664

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