19-Methoxy-2,10,22-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,16(21),17,19-octaene-11,13,15-trione
Basic information
- CAS
67717-81-1- Standard SMILES
COc1ccc2c(=O)c3c(=O)c4c(=O)oc5ccccc5c4oc3oc2c1- InChIKey
QMHGVFZAJCHTTJ-UHFFFAOYSA-N- Molecular formula
- C20H10O7
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.04265265
Names & identifiers
- Preferred name
- 19-Methoxy-2,10,22-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,16(21),17,19-octaene-11,13,15-trione
- IUPAC
- 19-methoxy-2,10,22-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4,6,8,16(21),17,19-octaene-11,13,15-trione
Names & synonyms
NSC32095867717-81-1DTXSID30317815NSC-32095811-Methoxy-6H,7H,8H-[1]benzopyrano[3',4':5,6]pyrano[2,3-b][1]benzopyran-6,7,8-trione
Database identifiers
- CAS
67717-81-1- PubChem CID
- 330978
- DTXSID
DTXSID30317815
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 792
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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