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Molecule
Deoxycorticosterone Acetate
CAS: 56-47-3 · C23H32O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 56-47-3
- Molecular Formula
- C23H32O4
- Molecular Mass
- 372.51 g/mol
Identifiers
CAS Registry Number
56-47-3
SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key
VPGRYOFKCNULNK-ACXQXYJUSA-N
InChI
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1
Names and Synonyms
- Deoxycorticosterone Acetate Synonym
- Pregn-4-ene-3,20-dione, 21-(acetyloxy)- Synonym
- 11-Deoxycorticosterone, acetate Synonym
- Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate Synonym
- 21-(Acetyloxy)pregn-4-ene-3,20-dione Synonym
- 21-Acetoxy-3,20-diketopregn-4-ene Synonym
- Cortacet Synonym
- Cortate Synonym
- Cortenil Synonym
- Cortesan Synonym
- Cortexone acetate Synonym
- Cortifar Synonym
- Cortigen Synonym
- Cortinaq Synonym
- Cortiron Synonym
- Cortivis Synonym
- Cortixyl Synonym
- DCA Synonym
- Decortin Synonym
- Decorten Synonym
- Decosterone Synonym
- Decostrate Synonym
- 11-Deoxycorticosterone 21-acetate Synonym
- Deoxycorticosterone acetate Synonym
- Deoxycorticosterone 21-acetate Synonym
- Deoxycortone acetate Synonym
- Descorterone Synonym
- Descotone Synonym
- Desoxycorticosterone acetate Synonym
- Desoxycortone acetate Synonym
- DOC acetate Synonym
- Dorcostrin Synonym
- Doxo Synonym
- 21-Hydroxypregn-4-ene-3,20-dione 21-acetate Synonym
- 21-Hydroxypregn-4-ene-3,20-dione acetate Synonym
- Krinocorts Synonym
- 11-Desoxycorticosterone acetate Synonym
- Ocriten Synonym
- Percorten Synonym
- Percotol Synonym
- 4-Pregnene-3,20-dione 21-acetate Synonym
- 4-Pregnene-3,20-dione-21-ol acetate Synonym
- Primocort Synonym
- Primocortan Synonym
- Sincortex Synonym
- Steraq Synonym
- Syncort Synonym
- Syncorta Synonym
- Syncortyl Synonym
- Unidocan Synonym
- DOCA Synonym
- 21-Acetoxypregn-4-ene-3,20-dione Synonym
- 21-Acetoxypregn-4-en-3,20-dione Synonym
- Doxycamon Synonym
- Arcort Synonym
- Ocritena Synonym
- Bio-Corten Synonym
- Decosteron Synonym
- NSC 9567 Synonym
- 21-Hydroxyprogesterone 21-acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 372.51 g/mol | CAS Common Chemistry |
| 372.5050000000002 g/mol | RDKit | |
| 372.505 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VPGRYOFKCNULNK-ACXQXYJUSA-N | CAS Common Chemistry |
| Melting Point | 157 °C | CAS Common Chemistry |
| Name | Deoxycorticosterone acetate | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
| 60.44 Ų | RDKit | |
| LogP | 4.266700000000004 | RDKit |
| 4.2667 | RDKit | |
| Molar Refractivity | 101.84000000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7826 | RDKit |
| 0.78 | chempirical lib | |
| Exact Mass | 372.230059504 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 372.51 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C23H32O4.
