Usnic acid derivative
2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one
Also Known As: Usnic acid derivative|USNIC ACID, THIOPHENYL ADDUCT|USNIC ACID,4A-DIHYDRO-4A(PHENYLTHIO)-,RACEMATE|2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one|2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-(phenylsulfanyl)-4a,9b-dihydrodibenzo[b,d]furan-3(4H)-one
CAS: 5209-53-0
| Molecular Formula | C24H22O7S |
|---|---|
| Molecular Weight | 454.1086 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.1086 |
| Monoisotopic Mass | 454.1086 |
| Heavy Atoms | 32 |
| Complexity | 862.0 |
Chemical Identifiers
| CAS Number | 5209-53-0 |
|---|---|
| SMILES | CC1=C(C(=C2C(=C1O)C3(C(=C(C(=O)CC3(O2)SC4=CC=CC=C4)C(=O)C)O)C)C(=O)C)O |
| InChIKey | LSOAAVNSTUDKDD-UHFFFAOYSA-N |
Product Overview
Usnic acid derivative (CAS 5209-53-0), with molecular formula C24H22O7S and molecular weight 454.1086 g/mol. IUPAC: 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a-phenylsulfanyl-4H-dibenzofuran-3-one.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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