Molecular properties
- Formula
- C21H28O5
- Molar mass
- 360.40 g·mol−1
- Exact mass
- 360.1937 Da
- 8
- 2
- 5
- 91.70 Ų
- 1.5 (PubChem computed XLogP3-AA descriptor)
- CAS
- 53-06-5
- PubChem CID
- 222786
Molecule record
cortisone
C21H28O5
360.40 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Alcohol
Alkene
Aromatic ring
Ketone
Phenol
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | 1.5 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 11-Dehydro-17-hydroxycorticosterone
- 17,21-Dihydroxypregn-4-ene-3,11,20-trione
- 17-Hydroxy-11-dehydrocorticosterone
- 17alpha,21-Dihydroxy-4-pregnene-3,11,20-trione
- 17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione
- 4-Pregnene-17alpha,21-diol-3,11,20-trione
- 53-06-5
- CHEBI:16962
Show all 23 synonyms
- Cortisona
- Cortisonum
- Cortisonum 30 Special Order
- DTXCID102857
- DTXSID5022857
- Kendall's compound E
- Kortison
- NSC-9703
- Pregn-4-en-17alpha,21-diol-3,11,20-trione
- Pregn-4-ene-3,11,20-trione, 17,21-dihydroxy-
- RefChem:5705
- Reichstein's substance FA
- Therapeutic Cortisone
- V27W9254FZ
- Wintersteiner's compound F
Structure identifiers
- Canonical SMILES
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
- Isomeric SMILES
- C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
- 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/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1
- InChIKey
- MFYSYFVPBJMHGN-ZPOLXVRWSA-N
- PubChem CID
- 222786
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
Simulated FTIR trace
Predicted FTIR / %T
4 cm-1 resolution / deterministic instrument profile
Hover for cursor
Peak assignments
3350 cm−1broad O-H (simulated)
1715 cm−1C=O ketone (simulated)
1645 cm−1C=C alkene (simulated)
3030 cm−1aromatic C-H (simulated)
1600 cm−1aromatic C=C (simulated)
2960 cm−1sp3 C-H (simulated)
Simulated NMR
On-demand educational prediction for cortisone; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for cortisone; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.
simulated IR
ChemForge original educational simulation.