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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
Names and Synonyms:
Testosterone, Acetate
Androst-4-en-3-one, 17-(acetyloxy)-, (17β)-
Testosterone, acetate
(17β)-17-(Acetyloxy)androst-4-en-3-one
Aceto-sterandryl
Aceto-testoviron
17β-Acetoxy-Δ4-androsten-3-one
17β-Acetoxy-4-androsten-3-one
Perandrone A
Testosterone 17-acetate
SKF 5647
17β-Hydroxyandrost-4-en-3-one-17β-acetate
Androst-4-en-17β-ol-3-one acetate
17β-Hydroxyandrost-4-en-3-one acetate
Amolisin
Androtest A
Deposteron
Farmatest
3-Oxoandrost-4-en-17β-yl acetate
4-Androsten-17β-ol-3-one 17-acetate
17β-Acetoxyandrost-4-ene-3-one
17β-Acetoxytestosterone
17-O-Acetyltestosterone
NSC 523836
4-Androstene-17β-ol-3-one acetate
Identifiers:
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:
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
Key Properties
Melting Point
140-141 °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 | 330.47 g/mol | CAS Common Chemistry |
| 330.4680000000001 g/mol | RDKit | |
| 330.21949481999997 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 |
| LogP | 4.450000000000004 | RDKit |
| Molar Refractivity | 92.26400000000005 | RDKit |
