10H-Benzo(b)xanthene-7,10,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-, 6-benzoate
Basic information
- CAS
56548-96-0- Standard SMILES
COC1=CC(=O)c2c(c(OC(=O)c3ccccc3)c3oc4cc(OC)cc(C)c4c(=O)c3c2O)C1=O- InChIKey
HSNOJHKJEPBXME-UHFFFAOYSA-N- Molecular formula
- C27H18O9
- Average molar mass
- 486.4 g/mol
- Monoisotopic mass
- 486.09508215
Names & identifiers
- Preferred name
- 10H-Benzo(b)xanthene-7,10,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-, 6-benzoate
- IUPAC
- (11-hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxobenzo[b]xanthen-6-yl) benzoate
Names & synonyms
10H-Benzo(b)xanthene-7,10,12-trione, 6,11-dihydroxy-3,8-dimethoxy-1-methyl-, 6-benzoate56548-96-0Mono-O-benzoyl bikaverin6,11-Dihydroxy-3,8-dimethoxy-1-methyl-10H-benzo(b)xanthene-7,10,12-trione 6-benzoateDTXSID5020510911-Hydroxy-3,8-dimethoxy-1-methyl-7,10,12-trioxo-7,12-dihydro-10H-benzo[b]xanthen-6-yl benzoate
Database identifiers
- CAS
56548-96-0- PubChem CID
- 41917
- DTXSID
DTXSID50205109- Nikkaji
- J69.861J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 951
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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