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Molecule
Mestanolone
CAS: 521-11-9 · C20H32O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 521-11-9
- Molecular Formula
- C20H32O2
- Molecular Mass
- 304.47 g/mol
Identifiers
CAS Registry Number
521-11-9
SMILES
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI Key
WYZDXEKUWRCKOB-YDSAWKJFSA-N
InChI
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
Names and Synonyms
- Mestanolone Common Name
- Androstan-3-one, 17-hydroxy-17-methyl-, (5α,17β)- Synonym
- 5α-Androstan-3-one, 17β-hydroxy-17-methyl- Synonym
- (5α,17β)-17-Hydroxy-17-methylandrostan-3-one Synonym
- Androstalone Synonym
- 17β-Hydroxy-17α-methyl-3-androstanone Synonym
- 17β-Hydroxy-17α-methyl-5α-androstan-3-one Synonym
- Mestanolone Synonym
- 17α-Methylandrostan-3-on-17β-ol Synonym
- 17α-Methyl-17β-hydroxy-5α-androstan-3-one Synonym
- 17α-Methyldihydrotestosterone Synonym
- 17α-Methylandrostan-17β-ol-3-one Synonym
- 17β-Hydroxy-17-methyl-5α-androstan-3-one Synonym
- 17α-Methyl-5α-dihydrotestosterone Synonym
- 5α-Androstan-17α-methyl-17β-ol-3-one Synonym
- Assimil Synonym
- Ermalone Synonym
- Tantarone Synonym
- Mestanolon Synonym
- Mestalone Synonym
- Methylantalon Synonym
- Methybol Synonym
- Preroide Synonym
- RU 143 Synonym
- 17α-Methyl-5α-androstan-17β-ol-3-one Synonym
- 17α-Methylandrostanolone Synonym
- Methylandrostanolone Synonym
- NSC 18219 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.47 g/mol | CAS Common Chemistry |
| 304.47400000000005 g/mol | RDKit | |
| 304.474 g/mol | RDKit | |
| Canonical SMILES | O=C1CCC2(C)C(C1)CCC3C2CCC4(C)C3CCC4(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WYZDXEKUWRCKOB-YDSAWKJFSA-N | CAS Common Chemistry |
| Melting Point | 192.5 °C | CAS Common Chemistry |
| Name | Mestanolone | CAS Common Chemistry |
| Heavy Atom Count | 22 | 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 | 4.349200000000005 | RDKit |
| 4.3492 | RDKit | |
| Molar Refractivity | 87.35780000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.95 | RDKit |
| Exact Mass | 304.240230264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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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.
External Resources
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MW = 304.47 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H32O2.
