4,5-Dihydroprednisolone, (5beta)-
Basic information
- CAS
566-34-7- Standard SMILES
C[C@]12C=CC(=O)C[C@H]1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO- InChIKey
NHVKTAGIUONXJA-AIPUTVCKSA-N- Molecular formula
- C21H30O5
- Average molar mass
- 362.5 g/mol
- Monoisotopic mass
- 362.20932405
Names & identifiers
- Preferred name
- 4,5-Dihydroprednisolone, (5beta)-
- IUPAC
- (5R,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
Names & synonyms
IKA642OBNANSC-154714,5-Dihydroprednisolone, (5beta)-UNII-IKA642OBNA566-34-75beta-Pregn-1-ene-3,20-dione, 11beta,17,21-trihydroxy-Pregn-1-ene-3,20-dione, 11,17,21-trihydroxy-, (5beta,11beta)-NSC15471(5beta)-4,5-dihydroprednisolone4,5-DIHYDROPREDNISOLONE, (5.BETA.)-Q272807685.BETA.-PREGN-1-ENE-3,20-DIONE, 11.BETA.,17,21-TRIHYDROXY-
Show more names
PREGN-1-ENE-3,20-DIONE, 11,17,21-TRIHYDROXY-, (5.BETA.,11.BETA.)-
Database identifiers
- CAS
566-34-7- PubChem CID
- 225754
- UNII
- IKA642OBNA
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 671
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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