(6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-6,10,13-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
Basic information
- CAS
2711-45-7- Standard SMILES
C[C@H]1C[C@H]2[C@@H]3CC[C@@]4(OCC4=O)[C@@]3(C)C[C@H](O)[C@]2(F)[C@@]2(C)C=CC(=O)C=C12- InChIKey
UAELTFMDOIYQJQ-MJWISQFFSA-N- Molecular formula
- C22H27FO4
- Average molar mass
- 374.4 g/mol
- Monoisotopic mass
- 374.1893375
Names & identifiers
- Preferred name
- (6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-6,10,13-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
- IUPAC
- (6S,8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11-hydroxy-6,10,13-trimethylspiro[6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17,2'-oxetane]-3,3'-dione
Names & synonyms
2711-45-7NSC48995DTXSID20949866NSC-489959-Fluoro-11-hydroxy-6-methyl-17,21-epoxypregna-1,4-diene-3,20-dione9-Fluoro-11beta-hydroxy-6alpha-methyl-17alpha-17,21-epoxypregna-1,4-diene-3,20-dione
Database identifiers
- CAS
2711-45-7- PubChem CID
- 241533
- DTXSID
DTXSID20949866
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 817
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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