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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 Weight:
360.4500000000002 g/mol
Names and Synonyms:
Prednisolone
Decortin
Equisolon
Millipred
Prednisolona Syntex
Prednicare
Vetsolone
Aprednislon
Prelone
NSC 9900
Deltasolone
Solone
Hydroretrocortine
Flamasone
Predni-Dome
Prednicen
Predniretard
NSC 9120
Deltacortril Enteric
Precortilon
Cortalone
Decaprednil
Klismacort
Panafcortelone
Delcortol
Precortalon
Supercortisol
Prednelan
Deltisilone
Delta-Ef-Cortelan
Steran
Ultracorten H
1,2-Dehydrohydrocortisone
Donisolone
Eazolin D
Deltahydrocortisone
Ultracortene H
Ulacort
11β,17,21-Trihydroxypregna-1,4-diene-3,20-dione
11β,17α,21-Trihydroxypregna-1,4-diene-3,20-dione
Sterolone
Sterane
Scherisolon
Prenolone
1,4-Pregnadiene-11β,17α,21-triol-3,20-dione
1,4-Pregnadiene-3,20-dione-11β,17α,21-triol
Predonine
Predonin
Prednisolone
Predne-Dome
Precortisyl
Precortancyl
Paracortol
Meti-Derm
Meticortelone
Metacortandralone
Hydroretrocortin
Hydrodeltisone
Hydrodeltalone
Δ1-Hydrocortisone
Hydeltrone
Hydeltra
Hostacortin H
Fernisolone
Dicortol
Di-Adreson F
Delta-stab
Deltacortril
Deltacortenol
Delta-Cortef
Delta F
1-Dehydrohydrocortisone
Δ1-Dehydrohydrocortisone
Δ1-Dehydrocortisol
Decortin H
Δ1-Cortisol
Co-Hydeltra
Codelcortone
(11β)-11,17,21-Trihydroxypregna-1,4-diene-3,20-dione
Pregna-1,4-diene-3,20-dione, 11β,17,21-trihydroxy-
Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
Preflam
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
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | cas-melting-point | 235 °C (decomp) | Legacy Database |
| cas-name | Prednisolone | Legacy Database | |
| molecular_mass | 360.45 g/mol | Legacy Database | |
| cas-canonical-smile | O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C32)C | Legacy Database | |
| cas-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 | Legacy Database | |
| cas-inchi-key | InChIKey=OIGNJSKKLXVSLS-VWUMJDOOSA-N | Legacy Database | |
| LogP | 1.5575999999999999 | RDKit | |
| Molecular | Molecular Weight | 360.4500000000002 g/mol | RDKit |
| Exact | Exact Molecular Weight | 360.1936739959999 g/mol | RDKit |
| Heavy | Heavy Atom Count | 26 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 94.83 Ų | RDKit |
| Molar | Molar Refractivity | 95.04840000000004 | RDKit |
