Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC12C=CC(=O)C=C1CCC1C2C(O)CC2(C)C1CC(O)C2(O)C(=O)CO- InChIKey
SEKYBDYVXDAYPY-UHFFFAOYSA-N- Molecular formula
- C21H28O6
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- 11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
- IUPAC
- 11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Names & synonyms
DTXSID2093049616|A-hydroxy-prednisoloneSCHEMBL13026137AKOS01590171411,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-oneNS0001054711|A,16|A,17|A,21-Tetrahydroxypregna-1,4-diene-3,20-dione;
Database identifiers
- PubChem CID
- 85663
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 756
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
1 records
Compound notes
Loading…