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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
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-
11-Deoxycorticosterone, acetate
Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate
21-(Acetyloxy)pregn-4-ene-3,20-dione
21-Acetoxy-3,20-diketopregn-4-ene
Cortacet
Cortate
Cortenil
Cortesan
Cortexone acetate
Cortifar
Cortigen
Cortinaq
Cortiron
Cortivis
Cortixyl
DCA
Decortin
Decorten
Decosterone
Decostrate
11-Deoxycorticosterone 21-acetate
Deoxycorticosterone acetate
Deoxycorticosterone 21-acetate
Deoxycortone acetate
Descorterone
Descotone
Desoxycorticosterone acetate
Desoxycortone acetate
DOC acetate
Dorcostrin
Doxo
21-Hydroxypregn-4-ene-3,20-dione 21-acetate
21-Hydroxypregn-4-ene-3,20-dione acetate
Krinocorts
11-Desoxycorticosterone acetate
Ocriten
Percorten
Percotol
4-Pregnene-3,20-dione 21-acetate
4-Pregnene-3,20-dione-21-ol acetate
Primocort
Primocortan
Sincortex
Steraq
Syncort
Syncorta
Syncortyl
Unidocan
DOCA
21-Acetoxypregn-4-ene-3,20-dione
21-Acetoxypregn-4-en-3,20-dione
Doxycamon
Arcort
Ocritena
Bio-Corten
Decosteron
NSC 9567
21-Hydroxyprogesterone 21-acetate
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| 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 |
| LogP | 4.266700000000004 | RDKit |
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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 101.84000000000006 | RDKit |
