Basic information
- CAS
76095-54-0- Standard SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO.O=P([O-])([O-])[O-].[Al+3]- InChIKey
JOKXJXBIXAKQBO-OJJGEMKLSA-K- Molecular formula
- C21H28AlO9P
- Average molar mass
- 482.4 g/mol
- Monoisotopic mass
- 482.1286329
Names & identifiers
- Preferred name
- Cortalugel 20
- IUPAC
- aluminum;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;phosphate
Names & synonyms
Cortalugel 2076095-54-0RefChem:919076aluminum;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one;phosphatePregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11beta)-, mixt. with aluminum phosphate (1:1)
Database identifiers
- CAS
76095-54-0- PubChem CID
- 192056
Properties
Computed structural properties
- Topological polar surface area
- 181 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 761
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…