9-Methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one
Basic information
- CAS
6219-63-2- Standard SMILES
COc1cc2oc3c(C)c(=O)cc4oc(-c5ccccc5)cc(c2c2c1CCC(c1ccccc1)O2)c43- InChIKey
FWKBXSPDFCAHFN-UHFFFAOYSA-N- Molecular formula
- C32H24O5
- Average molar mass
- 488.5 g/mol
- Monoisotopic mass
- 488.16237386
Names & identifiers
- Preferred name
- 9-Methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one
- IUPAC
- 9-methoxy-14-methyl-5,19-diphenyl-4,12,18-trioxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1(21),2,8,10,13,16,19-heptaen-15-one
Names & synonyms
NSC372201NSC-3722012H,3-a:2',3',4'-kl]xanthen-9-one, 3,4-dihydro-5-methoxy-8-methyl-2,12-diphenyl-, (-)-
Database identifiers
- CAS
6219-63-2- PubChem CID
- 435559
- Nikkaji
- J92.499G
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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