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Molecule
Epitestosterone
CAS: 481-30-1 · C19H28O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 481-30-1
- Molecular Formula
- C19H28O2
- Molecular Mass
- 288.43 g/mol
Identifiers
CAS Registry Number
481-30-1
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O
InChI Key
MUMGGOZAMZWBJJ-KZYORJDKSA-N
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1
Names and Synonyms
- Epitestosterone Synonym
- Androst-4-en-3-one, 17-hydroxy-, (17α)- Synonym
- Androst-4-en-3-one, 17α-hydroxy- Synonym
- (17α)-17-Hydroxyandrost-4-en-3-one Synonym
- Androst-4-en-17α-ol-3-one Synonym
- Epitestosterone Synonym
- epi-Testosterone Synonym
- 17α-Testosterone Synonym
- cis-Testosterone Synonym
- Isotestosterone Synonym
- Testosterone, cis- Synonym
- 17-Epitestosterone Synonym
- 17α-Hydroxyandrost-4-ene-3-one Synonym
- 4-Androstene-17α-ol-3-one Synonym
- 17α-Hydroxyandrost-4-en-3-one Synonym
- 17α-cis-Testosterone Synonym
- NSC 26499 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.43 g/mol | CAS Common Chemistry |
| 288.431 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Epitestosterone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17+,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MUMGGOZAMZWBJJ-KZYORJDKSA-N | CAS Common Chemistry |
| Melting Point | 155 °C | CAS Common Chemistry |
| Name | Epitestosterone | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.879200000000003 | RDKit |
| 3.8792 | RDKit | |
| Molar Refractivity | 82.71680000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8421 | RDKit |
| 0.84 | chempirical lib | |
| Exact Mass | 288.208930136 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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
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MW = 288.43 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H28O2.
