Basic information
- CAS
3801-25-0- Standard SMILES
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1O- InChIKey
KRJYQZVCFICBNU-UHFFFAOYSA-N- Molecular formula
- C20H27FO3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.19442288
Names & identifiers
- Preferred name
- 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
- IUPAC
- 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Names & synonyms
NSC53899NSC53898SCHEMBL302157229-fluoro-11,17-dihydroxy-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
Database identifiers
- CAS
3801-25-0- PubChem CID
- 499993
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 655
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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