Basic information
- CAS
59497-39-1- Standard SMILES
CC12C=CC(=O)C=C1CCC1C3CC4Cc5ccccc5CC4(C(=O)CO)C3(C)CC(O)C12F- InChIKey
IAHHOCLLSLZUNW-UHFFFAOYSA-N- Molecular formula
- C29H33FO4
- Average molar mass
- 464.6 g/mol
- Monoisotopic mass
- 464.23628769
Names & identifiers
- Preferred name
- 11-Fluoro-12-hydroxy-15-(2-hydroxyacetyl)-10,14-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-5,8,17,19,21-pentaen-7-one
- IUPAC
- 11-fluoro-12-hydroxy-15-(2-hydroxyacetyl)-10,14-dimethylhexacyclo[12.11.0.02,11.05,10.015,24.017,22]pentacosa-5,8,17,19,21-pentaen-7-one
Names & synonyms
59497-39-1CHEMBL4757790
Database identifiers
- CAS
59497-39-1- PubChem CID
- 64767
- ChEMBL
CHEMBL4757790
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 987
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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