Basic information
- CAS
52941-92-1- Standard SMILES
CC(=O)Oc1c(C)c(O)c(C(C)=O)c2c1C1(C)C(=O)C(C(C)=O)C(=O)C=C1O2- InChIKey
QVYCICCBAHCCLI-UHFFFAOYSA-N- Molecular formula
- C20H18O8
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.10016753
Names & identifiers
- Preferred name
- Usnic acid monoacetate
- IUPAC
- (4,8-diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxodibenzofuran-1-yl) acetate
- English name
- 2,6-Diacetyl-9-acetyloxy-7-hydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione
- Molecular formula
- C20H18O8
- Molecular weight
- 386.35
Names & synonyms
Usnic acid monoacetate1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-9-(acetyloxy)-7-hydroxy-8,9b-dimethyl-52941-92-1QVYCICCBAHCCLI-UHFFFAOYSA-NDTXSID5011313644,8-Diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxo-7,8,9,9a-tetrahydrodibenzo[b,d]furan-1-yl acetate4,8-Diacetyl-3-hydroxy-2,9a-dimethyl-7,9-dioxo-7,8,9,9a-tetrahydrodibenzo[b,d]furan-1-yl acetate #2,6-Diacetyl-9-acetyloxy-7-hydroxy-8,9b-dimethyl-1,3(2H,9bH)-dibenzofurandione1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-9-(acetyloxy)-7-hydroxy-8,9b-dimethyl- (9CI)
Database identifiers
- CAS
52941-92-1- PubChem CID
- 633552
- DTXSID
DTXSID501131364- Nikkaji
- J120.847K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 811
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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