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(17Β)-17-(Acetyloxy)-4-Chloroandrost-4-En-3-One
CAS: 855-19-6 | C21H29ClO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
855-19-6
Molecular Formula:
C21H29ClO3
Molecular Mass:
364.91 g/mol
Names and Synonyms:
(17Β)-17-(Acetyloxy)-4-Chloroandrost-4-En-3-One
Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-, (17β)-
Androst-4-en-3-one, 4-chloro-17β-hydroxy-, acetate
Testosterone, 4-chloro-, acetate
(17β)-17-(Acetyloxy)-4-chloroandrost-4-en-3-one
17β-Acetoxy-4-chloroandrost-4-en-3-one
4-Chloro-17β-hydroxyandrost-4-en-3-one 17-acetate
4-Chlorotestosterone acetate
Macrobin
Steranabol
Stearanabol
Chlorotestosterone acetate
4-Chlorotestosterone 17-acetate
Megagrisevit
Anabolit
Sterabol
Test-anabol
Testomed
Clostebol acetate
NSC 72159
4-Androstene-4-chloro-17β-ol-3-one acetate
Identifiers:
SMILES:
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI:
InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
Key Properties
Melting Point
228-230 °C
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 | 364.91 g/mol | CAS Common Chemistry |
| 364.9130000000002 g/mol | RDKit | |
| 364.18052246800005 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4=C(Cl)C(=O)CCC4(C)C3CCC12C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H29ClO3/c1-12(23)25-18-7-6-14-13-4-5-16-19(22)17(24)9-11-20(16,2)15(13)8-10-21(14,18)3/h13-15,18H,4-11H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=XYGMEFJSKQEBTO-KUJXMBTLSA-N | CAS Common Chemistry |
| Melting Point | 228-230 °C | CAS Common Chemistry |
| Name | (17β)-17-(Acetyloxy)-4-chloroandrost-4-en-3-one | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 5.016500000000005 | RDKit |
| Molar Refractivity | 97.06000000000006 | RDKit |
