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Molecule
Dihydrotestosterone
CAS: 521-18-6 · C19H30O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 521-18-6
- Molecular Formula
- C19H30O2
- Molecular Mass
- 290.45 g/mol
Identifiers
CAS Registry Number
521-18-6
SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InChI Key
NVKAWKQGWWIWPM-ABEVXSGRSA-N
InChI
InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
Names and Synonyms
- Dihydrotestosterone Common Name
- Androstan-3-one, 17-hydroxy-, (5α,17β)- Synonym
- 5α-Androstan-3-one, 17β-hydroxy- Synonym
- (5α,17β)-17-Hydroxyandrostan-3-one Synonym
- Anaboleen Synonym
- Androlone Synonym
- Cristerona MB Synonym
- 4-Dihydrotestosterone Synonym
- Dihydrotestosterone Synonym
- 17β-Hydroxy-3-androstanone Synonym
- Neodrol Synonym
- Stanaprol Synonym
- Stanolone Synonym
- Testosterone, dihydro- Synonym
- 5α-Dihydrotestosterone Synonym
- 5α-Androstan-17β-ol-3-one Synonym
- 17β-Hydroxy-5α-androstan-3-one Synonym
- 4,5α-Dihydrotestosterone Synonym
- Androstanolone Synonym
- 17β-Hydroxy-5α-androstane-3-one Synonym
- 5α,17β-Hydroxyandrostan-3-one Synonym
- (+)-Androstan-17β-ol-3-one Synonym
- Androstan-17β-ol-3-one Synonym
- Anabolex Synonym
- 5α-Androstanolone Synonym
- LG 152 Synonym
- DHT Synonym
- Andractim Synonym
- NSC 10972 Synonym
- 5-DHT Synonym
- (5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 290.45 g/mol | CAS Common Chemistry |
| 290.44700000000006 g/mol | RDKit | |
| 290.447 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dihydrotestosterone | CAS Common Chemistry |
| Canonical SMILES | O=C1CCC2(C)C(C1)CCC3C4CCC(O)C4(C)CCC32 | CAS Common Chemistry |
| InChI | InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NVKAWKQGWWIWPM-ABEVXSGRSA-N | CAS Common Chemistry |
| Melting Point | 181 °C | CAS Common Chemistry |
| Name | Dihydrotestosterone | 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 | 3.959100000000003 | RDKit |
| 3.9591 | RDKit | |
| Molar Refractivity | 82.74080000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9474 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 290.2245802 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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.
External Resources
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MW = 290.45 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H30O2.
