disodium;(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-diolate
Basic information
- CAS
7460-03-9- Standard SMILES
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H]([O-])C[C@]2(C)[C@@]1([O-])C(=O)CO.[Na+].[Na+]- InChIKey
CUAKZZUNMDTHBQ-LWCNAHDDSA-N- Molecular formula
- C22H27FNa2O5
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.16379068
Names & identifiers
- Preferred name
- disodium;(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-diolate
- IUPAC
- disodium;(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-17-(2-hydroxyacetyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-11,17-diolate
Database identifiers
- CAS
7460-03-9- PubChem CID
- 134644
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 805
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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