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Prednisolone
CAS: 50-24-8 | C21H28O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-24-8
Molecular Formula:
C21H28O5
Molecular Mass:
360.45 g/mol
Names and Synonyms:
Prednisolone
Preflam
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-
(11β)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Codelcortone
Co-Hydeltra
Δ1-Cortisol
Decortin H
Δ1-Dehydrocortisol
Δ1-Dehydrohydrocortisone
1-Dehydrohydrocortisone
Delta F
Delta-Cortef
Deltacortenol
Deltacortril
Delta-stab
Di-Adreson F
Dicortol
Fernisolone
Hostacortin H
Hydeltra
Hydeltrone
Δ1-Hydrocortisone
Hydrodeltalone
Hydrodeltisone
Hydroretrocortin
Metacortandralone
Meticortelone
Meti-Derm
Paracortol
Precortancyl
Precortisyl
Predne-Dome
Prednisolone
Predonin
Predonine
1,4-Pregnadiene-3,20-dione-11β,17α,21-triol
1,4-Pregnadiene-11β,17α,21-triol-3,20-dione
Prenolone
Scherisolon
Sterane
Sterolone
11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Ulacort
Ultracortene H
Deltahydrocortisone
Eazolin D
Donisolone
1,2-Dehydrohydrocortisone
Ultracorten H
Steran
Delta-Ef-Cortelan
Deltisilone
Prednelan
Supercortisol
Precortalon
Delcortol
Panafcortelone
Klismacort
Decaprednil
Cortalone
Precortilon
Deltacortril Enteric
NSC 9120
Predniretard
Prednicen
Predni-Dome
Flamasone
Hydroretrocortine
Solone
Deltasolone
NSC 9900
Prelone
Aprednislon
Vetsolone
Prednicare
Prednisolona Syntex
Millipred
Equisolon
Decortin
Identifiers:
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
InChI:
InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1
Key Properties
Melting Point
235 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 360.45 g/mol | CAS Common Chemistry |
| 360.4500000000002 g/mol | RDKit | |
| 360.1936739959999 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C32)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h5,7,9,14-16,18,22,24,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OIGNJSKKLXVSLS-VWUMJDOOSA-N | CAS Common Chemistry |
| Melting Point | 235 °C (decomp) | CAS Common Chemistry |
| Name | Prednisolone | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | 1.5575999999999999 | RDKit |
| Molar Refractivity | 95.04840000000004 | RDKit |
