2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-one
Basic information
- CAS
21402-57-3- Standard SMILES
CC(=O)C1=C(O)C2(C)c3c(O)c(C)c(O)c(C(C)=O)c3OC2CC1=O- InChIKey
ZRBYOSNUIRNFFL-UHFFFAOYSA-N- Molecular formula
- C18H18O7
- Average molar mass
- 346.3 g/mol
- Monoisotopic mass
- 346.10525291
Names & identifiers
- Preferred name
- 2,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-one
- IUPAC
- 2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-one
Names & synonyms
MLS003115497NSC28005721402-57-3Dihydrousnic acid2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4,4a-dihydrodibenzofuran-3-oneUsnic acid, dihydro-2,6-Diacetyl-4a,9b-dihydro-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1(4H)-one18058-88-3CHEMBL3247240SCHEMBL10005633DTXSID50314028UCEDYRRYYRYVBN-UHFFFAOYSA-N
Show more names
NSC-2800571(4H)-Dibenzofuranone, 2,6-diacetyl-4a,9b-dihydro-3,7,9-trihydroxy-6,9b-dimethyl-, (-)-1(4H)-Dibenzofuranone, 2,6-diacetyl-4a,9b-dihydro-3,7,9-trihydroxy-8,9b-dimethyl-SMR0018310732,6-Diacetyl-1,7,9-trihydroxy-8,9b-dimethyl-4a,9b-dihydrodibenzo[b,d]furan-3(4H)-one2,6-diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-4,4a-dihydrodibenzofuran-1-one2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-4a,9b-dihydrodibenzo[b,d]furan-1(4H)-one2,6-Diacetyl-3,7,9-trihydroxy-8,9b-dimethyl-4a,9b-dihydrodibenzo[b,d]furan-1(4H)-one #
Database identifiers
- CAS
21402-57-3- PubChem CID
- 322448
- DTXSID
DTXSID50314028- ChEMBL
CHEMBL3247240- Nikkaji
- J120.848I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 681
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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