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Molecule
Testosterone, Acetate
CAS: 1045-69-8 · C21H30O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1045-69-8
- Molecular Formula
- C21H30O3
- Molecular Mass
- 330.47 g/mol
Identifiers
CAS Registry Number
1045-69-8
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI Key
DJPZSBANTAQNFN-PXQJOHHUSA-N
InChI
InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
Names and Synonyms
- Testosterone, Acetate Systematic Name
- Androst-4-en-3-one, 17-(acetyloxy)-, (17β)- Synonym
- Testosterone, acetate Synonym
- (17β)-17-(Acetyloxy)androst-4-en-3-one Synonym
- Aceto-sterandryl Synonym
- Aceto-testoviron Synonym
- 17β-Acetoxy-Δ4-androsten-3-one Synonym
- 17β-Acetoxy-4-androsten-3-one Synonym
- Perandrone A Synonym
- Testosterone 17-acetate Synonym
- SKF 5647 Synonym
- 17β-Hydroxyandrost-4-en-3-one-17β-acetate Synonym
- Androst-4-en-17β-ol-3-one acetate Synonym
- 17β-Hydroxyandrost-4-en-3-one acetate Synonym
- Amolisin Synonym
- Androtest A Synonym
- Deposteron Synonym
- Farmatest Synonym
- 3-Oxoandrost-4-en-17β-yl acetate Synonym
- 4-Androsten-17β-ol-3-one 17-acetate Synonym
- 17β-Acetoxyandrost-4-ene-3-one Synonym
- 17β-Acetoxytestosterone Synonym
- 17-O-Acetyltestosterone Synonym
- NSC 523836 Synonym
- 4-Androstene-17β-ol-3-one acetate 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 | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DJPZSBANTAQNFN-PXQJOHHUSA-N | CAS Common Chemistry |
| Melting Point | 140-141 °C | CAS Common Chemistry |
| Name | Testosterone, acetate | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | 4.450000000000004 | RDKit |
| 4.45 | RDKit | |
| Molar Refractivity | 92.26400000000005 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
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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 = 330.47 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H30O3.
