Basic information
- Standard SMILES
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@H]1C(=O)COC(=O)CCC(=O)O- InChIKey
NYKHLUQTYZGGBS-UFRXNSORSA-N- Molecular formula
- C26H33FO7
- Average molar mass
- 476.5 g/mol
Names & identifiers
- Preferred name
- (6alpha-Fluoro-11beta-hydroxy-3,20-dioxo-16alpha-methyl-1,4-pregnadien-21-yl) hydrogen succinate
- IUPAC
- 4-[2-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
Names & synonyms
SCHEMBL11785707NYKHLUQTYZGGBS-UFRXNSORSA-N(6alpha-fluoro-11beta-hydroxy-3,20-dioxo-16alpha-methyl-1,4-pregnadien-21-yl) hydrogen succinate
Database identifiers
- PubChem CID
- 68130487
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 970
Related reactions
1 records
Compound notes
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