(8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Basic information
- CAS
378-37-0- Standard SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
BYRUICHHHLWDBQ-QWQRBHLCSA-N- Molecular formula
- C22H29FO4
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.20498756
Names & identifiers
- Preferred name
- (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
- IUPAC
- (8S,9R,10S,11S,13S,14S,17R)-17-acetyl-9-fluoro-11,17-dihydroxy-6,10,13-trimethyl-1,2,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
378-37-0NSC108411DTXSID70958842NSC-1084119-Fluoro-11,17-dihydroxy-6-methylpregna-4,6-diene-3,20-dione9-Fluoro-11beta,17-dihydroxy-6-methylpregna-4,6-diene-3,20-dionePregna-4,20-dione, 9-fluoro-11,17-dihydroxy-6-methyl-, (11.beta.)-
Database identifiers
- CAS
378-37-0- PubChem CID
- 268258
- DTXSID
DTXSID70958842
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 800
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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