5-Fluoro-1-hydroxy-12a-methyl-2,3,3a,3b,4,5,6,9,10,10a,10b,11,12,12a-tetradecahydrobenzo[3,4]cyclohepta[1,2-e]inden-8(1h)-one
Basic information
- CAS
4933-98-6- Standard SMILES
CC12CCC3C4CCC(=O)C=C4CC(F)CC3C1CCC2O- InChIKey
NPXLWSYYGVAIQL-UHFFFAOYSA-N- Molecular formula
- C19H27FO2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.19950826
Names & identifiers
- Preferred name
- 5-Fluoro-1-hydroxy-12a-methyl-2,3,3a,3b,4,5,6,9,10,10a,10b,11,12,12a-tetradecahydrobenzo[3,4]cyclohepta[1,2-e]inden-8(1h)-one
- IUPAC
- 9-fluoro-15-hydroxy-16-methyltetracyclo[9.7.0.02,7.012,16]octadec-6-en-5-one
Names & synonyms
4933-98-65-fluoro-1-hydroxy-12a-methyl-2,3,3a,3b,4,5,6,9,10,10a,10b,11,12,12a-tetradecahydrobenzo[3,4]cyclohepta[1,2-e]inden-8(1h)-oneNSC103187DTXSID90295600NSC-103187
Database identifiers
- CAS
4933-98-6- PubChem CID
- 266115
- DTXSID
DTXSID90295600
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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