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Molecule
(17Β)-17-(Acetyloxy)-4-Chloroandrost-4-En-3-One
CAS: 855-19-6 · C21H29ClO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 855-19-6
- Molecular Formula
- C21H29ClO3
- Molecular Mass
- 364.91 g/mol
Identifiers
CAS Registry Number
855-19-6
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 Key
XYGMEFJSKQEBTO-KUJXMBTLSA-N
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
Names and Synonyms
- (17Β)-17-(Acetyloxy)-4-Chloroandrost-4-En-3-One Common Name
- Androst-4-en-3-one, 17-(acetyloxy)-4-chloro-, (17β)- Synonym
- Androst-4-en-3-one, 4-chloro-17β-hydroxy-, acetate Synonym
- Testosterone, 4-chloro-, acetate Synonym
- (17β)-17-(Acetyloxy)-4-chloroandrost-4-en-3-one Synonym
- 17β-Acetoxy-4-chloroandrost-4-en-3-one Synonym
- 4-Chloro-17β-hydroxyandrost-4-en-3-one 17-acetate Synonym
- 4-Chlorotestosterone acetate Synonym
- Macrobin Synonym
- Steranabol Synonym
- Stearanabol Synonym
- Chlorotestosterone acetate Synonym
- 4-Chlorotestosterone 17-acetate Synonym
- Megagrisevit Synonym
- Anabolit Synonym
- Sterabol Synonym
- Test-anabol Synonym
- Testomed Synonym
- Clostebol acetate Synonym
- NSC 72159 Synonym
- 4-Androstene-4-chloro-17β-ol-3-one acetate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 364.91 g/mol | CAS Common Chemistry |
| 364.9130000000002 g/mol | RDKit | |
| 364.913 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 |
| 43.37 Ų | RDKit | |
| LogP | 5.016500000000005 | RDKit |
| 5.0165 | RDKit | |
| Molar Refractivity | 97.06000000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8095 | RDKit |
| 0.81 | chempirical lib | |
| Exact Mass | 364.18052246800005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 364.91 g/mol. Edit any field — others recompute live.
