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Molecule
Corticosterone
CAS: 50-22-6 · C21H30O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 50-22-6
- Molecular Formula
- C21H30O4
- Molecular Mass
- 346.47 g/mol
Identifiers
CAS Registry Number
50-22-6
SMILES
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
InChI Key
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
InChI
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
Names and Synonyms
- Corticosterone Common Name
- Pregn-4-ene-3,20-dione, 11,21-dihydroxy-, (11β)- Synonym
- Corticosterone Synonym
- (11β)-11,21-Dihydroxypregn-4-ene-3,20-dione Synonym
- 11,21-Dihydroxyprogesterone Synonym
- Kendall's compound B Synonym
- 4-Pregnene-11β,21-diol-3,20-dione Synonym
- Reichstein's substance H Synonym
- 17-Deoxycortisol Synonym
- 11β,21-Dihydroxypregn-4-ene-3,20-dione Synonym
- 11-Hydroxycorticoaldosterone Synonym
- 11β,21-Dihydroxyprogesterone Synonym
- Corticosteron Synonym
- NSC 9705 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.47 g/mol | CAS Common Chemistry |
| 346.46700000000016 g/mol | RDKit | |
| 346.467 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Corticosterone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C2CCC3C4CCC(C(=O)CO)C4(C)CC(O)C3C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OMFXVFTZEKFJBZ-HJTSIMOOSA-N | CAS Common Chemistry |
| Melting Point | 181 °C | CAS Common Chemistry |
| Name | Corticosterone | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 74.6 Ų | RDKit |
| LogP | 2.666700000000002 | RDKit |
| 2.6667 | RDKit | |
| Molar Refractivity | 93.68260000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8095 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 346.21440943999994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 346.47 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H30O4.
