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Basic information
- Standard SMILES
CC(=O)C12OC1CC1C3CCC4=CC(=O)CCC4(C)C3CC(=O)C12C- InChIKey
FQJCYOXBAJKKRJ-UHFFFAOYSA-N- Molecular formula
- C21H26O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18310931
Names & identifiers
- Preferred name
- 6-Acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-ene-8,14-dione
- IUPAC
- 6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-ene-8,14-dione
Names & synonyms
NSC192730NSC-192730
Database identifiers
- PubChem CID
- 303603
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 751
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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