9-Fluoro-11beta-hydroxy-21-methoxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl butanoate
Basic information
- CAS
123013-35-4- Standard SMILES
CCCC(=O)O[C@]1(C(=O)COC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C- InChIKey
FTYAKWPLZAAKPI-OMPPIWKSSA-N- Molecular formula
- C27H37FO6
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.25741706
Names & identifiers
- Preferred name
- 9-Fluoro-11beta-hydroxy-21-methoxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl butanoate
- IUPAC
- [(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11-hydroxy-17-(2-methoxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] butanoate
Names & synonyms
DTXSID201114167123013-35-49-Fluoro-11beta-hydroxy-21-methoxy-16alpha-methyl-3,20-dioxopregna-1,4-dien-17-yl butanoatePregna-1,4-diene-3,20-dione, 9-fluoro-11-hydroxy-21-methoxy-16-methyl-17-(1-oxobutoxy)-, (11I(2),16I+/-)-
Database identifiers
- CAS
123013-35-4- PubChem CID
- 14749461
- DTXSID
DTXSID201114167
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 957
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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