Back to Search
Molecule
11-Deoxycorticosterone
CAS: 64-85-7 · C21H30O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 64-85-7
- Molecular Formula
- C21H30O3
- Molecular Mass
- 330.47 g/mol
Identifiers
CAS Registry Number
64-85-7
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
InChI Key
ZESRJSPZRDMNHY-YFWFAHHUSA-N
InChI
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1
Names and Synonyms
- 11-Deoxycorticosterone Systematic Name
- Pregn-4-ene-3,20-dione, 21-hydroxy- Synonym
- 11-Deoxycorticosterone Synonym
- 21-Hydroxypregn-4-ene-3,20-dione Synonym
- Cortexone Synonym
- 11-Dehydroxycorticosterone Synonym
- Deoxycortone Synonym
- Desoxycorticosterone Synonym
- 11-Desoxycorticosterone Synonym
- Desoxycortone Synonym
- DOC Synonym
- 21-Hydroxy-Δ4-pregnene-3,20-dione Synonym
- 21-Hydroxyprogesterone Synonym
- Kendall's desoxy compound B Synonym
- 4-Pregnen-21-ol-3,20-dione Synonym
- Reichstein's substance Q Synonym
- Corticosterone, 11-deoxy- Synonym
- Deoxycorticosterone Synonym
- Δ4-Pregnene-21-ol-3,20-dione Synonym
- 21-Hydroxy-3,20-dioxopregn-4-ene Synonym
- 21-Hydroxy-Δ4-pregnane-3,20-dione Synonym
- DOC (steroid) Synonym
- NSC 11319 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.47 g/mol | CAS Common Chemistry |
| 330.4680000000001 g/mol | RDKit | |
| 330.468 g/mol | RDKit | |
| Density | 1.22 g/cm³ | CAS Common Chemistry |
| 1.22 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/11-Deoxycorticosterone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C2CCC3C(CCC4(C)C(C(=O)CO)CCC34)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZESRJSPZRDMNHY-YFWFAHHUSA-N | CAS Common Chemistry |
| Melting Point | 141.5 °C | CAS Common Chemistry |
| Name | Deoxycorticosterone | CAS Common Chemistry |
| 11-Deoxycorticosterone | CAS Common Chemistry | |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 54.370000000000005 Ų | RDKit |
| 54.37 Ų | RDKit | |
| LogP | 3.695900000000003 | RDKit |
| 3.6959 | RDKit | |
| Molar Refractivity | 92.29280000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8095 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 330.21949481999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 330.47 g/mol; density = 1.220 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H30O3.
