6-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
Basic information
- CAS
1926-93-8- Standard SMILES
CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1(O)C(=O)COC(=O)C(C)(C)C- InChIKey
BHXGVYISZWSEJE-UHFFFAOYSA-N- Molecular formula
- C27H37FO6
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.25741706
Names & identifiers
- Preferred name
- 6-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
- IUPAC
- [2-(6-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 2,2-dimethylpropanoate
Names & synonyms
DTXSID509409226-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl 2,2-dimethylpropanoate
Database identifiers
- CAS
1926-93-8- PubChem CID
- 102715
- DTXSID
DTXSID50940922
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 978
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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