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Deoxycorticosterone Acetate
CAS: 56-47-3 | C23H32O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
56-47-3
Molecular Formula:
C23H32O4
Molecular Weight:
372.5050000000002 g/mol
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
Identifiers:
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:
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
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 372.5050000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 372.230059504 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 27 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 4 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 3 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 60.440000000000005 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 4.266700000000004 | RDKit |
| molecular_mass | 372.51 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=VPGRYOFKCNULNK-ACXQXYJUSA-N None | Legacy Database |
| cas-melting-point | 157 °C None | Legacy Database |
| cas-name | Deoxycorticosterone acetate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 101.84000000000006 | RDKit |