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Corticosterone Acetate
CAS: 1173-26-8 | C23H32O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1173-26-8
Molecular Formula:
C23H32O5
Molecular Mass:
388.50 g/mol
Names and Synonyms:
Corticosterone Acetate
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11β)-
Corticosterone, 21-acetate
Corticosterone acetate
(11β)-21-(Acetyloxy)-11-hydroxypregn-4-ene-3,20-dione
SKF 5654
Cort A
NSC 81764
Identifiers:
SMILES:
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
InChI:
InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1
Key Properties
Melting Point
152.5-153.0 °C @ Solvent: Acetone
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 | 388.50 g/mol | CAS Common Chemistry |
| 388.5040000000002 g/mol | RDKit | |
| 388.22497412399997 g/mol | RDKit | |
| Name | Corticosterone acetate | CAS Common Chemistry |
| Canonical SMILES | O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WKQCPUMQBMFPLC-ZWFCQKKLSA-N | CAS Common Chemistry |
| Melting Point | 152.5-153.0 °C @ Solvent: Acetone | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 80.67 Ų | RDKit |
| LogP | 3.2375000000000016 | RDKit |
| Molar Refractivity | 103.22980000000005 | RDKit |
