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Molecule
1Α-Methyl-5Α-Androstan-17Β-Ol-3-One
CAS: 1424-00-6 · C20H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1424-00-6
- Molecular Formula
- C20H32O2
- Molecular Mass
- 304.47 g/mol
Identifiers
CAS Registry Number
1424-00-6
SMILES
C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C
InChI Key
UXYRZJKIQKRJCF-TZPFWLJSSA-N
InChI
InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1
Names and Synonyms
- 1Α-Methyl-5Α-Androstan-17Β-Ol-3-One Systematic Name
- Androstan-3-one, 17-hydroxy-1-methyl-, (1α,5α,17β)- Synonym
- 5α-Androstan-3-one, 17β-hydroxy-1α-methyl- Synonym
- (1α,5α,17β)-17-Hydroxy-1-methylandrostan-3-one Synonym
- SH 723 Synonym
- 17β-Hydroxy-1α-methyl-5α-androstan-3-one Synonym
- Mesterolone Synonym
- 1α-Methyl-5α-androstan-17β-ol-3-one Synonym
- 1α-Methyl-17β-hydroxy-5α-androstan-3-one Synonym
- Proviron Synonym
- 1α-Methyl-5α-dihydrotestosterone Synonym
- Androviron Synonym
- Mestoranum Synonym
- Mesteranum Synonym
- Testiwop Synonym
- Provirone 25 Synonym
- NSC 75054 Synonym
- MEST 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 | |
| Density | 1.16 g/cm³ | CAS Common Chemistry |
| 1.156 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1CC(C)C2(C)C(C1)CCC3C4CCC(O)C4(C)CCC32 | CAS Common Chemistry |
| InChI | InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=UXYRZJKIQKRJCF-TZPFWLJSSA-N | CAS Common Chemistry |
| Melting Point | 204 °C | CAS Common Chemistry |
| Name | 1α-Methyl-5α-androstan-17β-ol-3-one | 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 | 4.205100000000003 | RDKit |
| 4.2051 | RDKit | |
| Molar Refractivity | 87.28780000000006 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.
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MW = 304.47 g/mol; density = 1.160 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H32O2.
