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Molecule
Boldenone
CAS: 846-48-0 · C19H26O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 846-48-0
- Molecular Formula
- C19H26O2
- Molecular Mass
- 286.42 g/mol
Identifiers
CAS Registry Number
846-48-0
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@@H]2O
InChI Key
RSIHSRDYCUFFLA-DYKIIFRCSA-N
InChI
InChI=1S/C19H26O2/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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
Names and Synonyms
- Boldenone Common Name
- Androsta-1,4-dien-3-one, 17-hydroxy-, (17β)- Synonym
- Androsta-1,4-dien-3-one, 17β-hydroxy- Synonym
- (17β)-17-Hydroxyandrosta-1,4-dien-3-one Synonym
- 17β-Hydroxyandrosta-1,4-dien-3-one Synonym
- 1,4-Androstadien-17β-ol-3-one Synonym
- Androsta-1,4-diene-17β-ol-3-one Synonym
- 1,2-Dehydrotestosterone Synonym
- 1-Dehydrotestosterone Synonym
- 1,2-Didehydrotestosterone Synonym
- 17β-Hydroxyandrost-1,4-diene-3-one Synonym
- Boldenone Synonym
- Dehydrotestosterone Synonym
- Δ1-Testosterone Synonym
- 17β-Hydroxy-1,4-androstadiene-3-one Synonym
- 17β-Hydroxyandrost-1,4-dien-3-one Synonym
- RU 18761 Synonym
- β-Boldenone Synonym
- NSC 79102 Synonym
- Boldane Synonym
- 17β-Boldenone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 286.42 g/mol | CAS Common Chemistry |
| 286.415 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(O)CCC34)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H26O2/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/h7,9,11,14-17,21H,3-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RSIHSRDYCUFFLA-DYKIIFRCSA-N | CAS Common Chemistry |
| Melting Point | 165 °C | CAS Common Chemistry |
| Name | Boldenone | 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 | 3.655200000000003 | RDKit |
| 3.6552 | RDKit | |
| Molar Refractivity | 82.62280000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7368 | RDKit |
| 0.74 | chempirical lib | |
| Exact Mass | 286.193280072 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 286.42 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H26O2.
