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Molecule
Methenolone Acetate
CAS: 434-05-9 · C22H32O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 434-05-9
- Molecular Formula
- C22H32O3
- Molecular Mass
- 344.50 g/mol
Identifiers
CAS Registry Number
434-05-9
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C
InChI Key
PGAUJQOPTMSERF-QWQRBHLCSA-N
InChI
InChI=1S/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1
Names and Synonyms
- Methenolone Acetate Synonym
- Androst-1-en-3-one, 17-(acetyloxy)-1-methyl-, (5α,17β)- Synonym
- 5α-Androst-1-en-3-one, 17β-hydroxy-1-methyl-, acetate Synonym
- (5α,17β)-17-(Acetyloxy)-1-methylandrost-1-en-3-one Synonym
- SH 567 Synonym
- SH 567a Synonym
- SQ 16496 Synonym
- 17β-Hydroxy-1-methyl-5α-androst-1-en-3-one acetate Synonym
- Methenolone acetate Synonym
- 1-Methyl-5α-androst-1-en-17β-ol-3-one acetate Synonym
- Nibal Synonym
- Primobolan Synonym
- Metenolone acetate Synonym
- Primobolone Synonym
- 1-Methyl-17β-hydroxy-5α-androst-1-en-3-one acetate Synonym
- 1-Methyl-17β-hydroxy-5α-androst-1-en-3-one-17β-acetate Synonym
- Primonabol Synonym
- NSC 74226 Synonym
- Methenolone 17-acetate Synonym
- Primobolan Tablets Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 344.50 g/mol | CAS Common Chemistry |
| 344.4950000000001 g/mol | RDKit | |
| 344.495 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4CC(=O)C=C(C)C4(C)C3CCC12C)C | CAS Common Chemistry |
| InChI | InChI=1S/C22H32O3/c1-13-11-16(24)12-15-5-6-17-18-7-8-20(25-14(2)23)21(18,3)10-9-19(17)22(13,15)4/h11,15,17-20H,5-10,12H2,1-4H3/t15-,17-,18-,19-,20-,21-,22-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PGAUJQOPTMSERF-QWQRBHLCSA-N | CAS Common Chemistry |
| Melting Point | 138-139 °C | CAS Common Chemistry |
| Name | Methenolone acetate | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 4.696000000000004 | RDKit |
| 4.696 | RDKit | |
| Molar Refractivity | 96.81100000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8182 | RDKit |
| 0.82 | chempirical lib | |
| Exact Mass | 344.23514488399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 344.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C22H32O3.
