20-Dihydroprednisone
Basic information
- CAS
2899-94-7- Standard SMILES
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(O)CO- InChIKey
UMAIDVARGWSZLM-BNHZJTPYSA-N- Molecular formula
- C21H28O5
- Average molar mass
- 360.4 g/mol
- Monoisotopic mass
- 360.19367399
Overview
structure given in first source
Names & identifiers
- Preferred name
- 20-Dihydroprednisone
- IUPAC
- (8S,9S,10R,13S,14S,17R)-17-(1,2-dihydroxyethyl)-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
- English name
- 20-dihydroprednisone
- Molecular formula
- C21H28O5
- Molecular weight
- 0
Names & synonyms
20-Dihydroprednisone2899-94-7Pregna-1,4-diene-3,11-dione, 17,20,21-trihydroxy-RefChem:8955820beta-Dihydroprednisone20alpha-Dihydroprednisone17,20,21-trihydroxypregna-1,4-diene-3,11-dioneDTXSID80951607NS0009692620-Hydroxy Prednisone (Mixture of Diastereomers)17α,20S,21-trihydroxypregna-1,4-diene-3,11-dione(20S)-17,20,21-Trihydroxypregna-1,4-diene-3,11-dione
Database identifiers
- CAS
2899-94-7- PubChem CID
- 193365
- DTXSID
DTXSID80951607- Nikkaji
- J523.192B
Properties
Computed structural properties
- XLogP
- 1.2
- 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
- 724
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Related reactions
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Compound notes
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