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Molecule
Methasterone
CAS: 3381-88-2 · C21H34O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3381-88-2
- Molecular Formula
- C21H34O2
- Molecular Mass
- 318.50 g/mol
Identifiers
CAS Registry Number
3381-88-2
SMILES
C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]2(C)O)CC1=O
InChI Key
QCWCXSMWLJFBNM-FOVYBZIDSA-N
InChI
InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1
Names and Synonyms
- Methasterone Synonym
- Androstan-3-one, 17-hydroxy-2,17-dimethyl-, (2α,5α,17β)- Synonym
- 5α-Androstan-3-one, 17β-hydroxy-2α,17-dimethyl- Synonym
- (2α,5α,17β)-17-Hydroxy-2,17-dimethylandrostan-3-one Synonym
- 2α,17α-Dimethyldihydrotestosterone Synonym
- 17β-Hydroxy-2α,17-dimethyl-5α-androstan-3-one Synonym
- NSC 40490 Synonym
- Methasteron Synonym
- Superdrol Synonym
- 17-Methyldrostanolone Synonym
- Methasterone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.50 g/mol | CAS Common Chemistry |
| 318.50100000000003 g/mol | RDKit | |
| 318.501 g/mol | RDKit | |
| Canonical SMILES | O=C1CC2CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1C | CAS Common Chemistry |
| InChI | InChI=1S/C21H34O2/c1-13-12-19(2)14(11-18(13)22)5-6-15-16(19)7-9-20(3)17(15)8-10-21(20,4)23/h13-17,23H,5-12H2,1-4H3/t13-,14+,15-,16+,17+,19+,20+,21+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QCWCXSMWLJFBNM-FOVYBZIDSA-N | CAS Common Chemistry |
| Melting Point | 139.0-140.5 °C | CAS Common Chemistry |
| Name | Methasterone | CAS Common Chemistry |
| Heavy Atom Count | 23 | 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 | 4.5952000000000055 | RDKit |
| 4.5952 | RDKit | |
| Molar Refractivity | 91.90480000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9524 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 318.255880328 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
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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.
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MW = 318.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H34O2.
