Back to Search
Molecule
Oxymesterone
CAS: 145-12-0 · C20H30O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 145-12-0
- Molecular Formula
- C20H30O3
- Molecular Mass
- 318.46 g/mol
Identifiers
CAS Registry Number
145-12-0
SMILES
C[C@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI Key
RXXBBHGCAXVBES-XMUHMHRVSA-N
InChI
InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
Names and Synonyms
- Oxymesterone Synonym
- 4,17β-Dihydroxy-17α-methylandrost-4-en-3-one Synonym
- 4-Hydroxy-17-methyltestosterone Synonym
- 4-Hydroxy-17α-methyltestosterone Synonym
- Oranabol Synonym
- Oxymesterone Synonym
- Androst-4-en-3-one, 4,17-dihydroxy-17-methyl-, (17β)- Synonym
- Androst-4-en-3-one, 4,17β-dihydroxy-17-methyl- Synonym
- (17β)-4,17-Dihydroxy-17-methylandrost-4-en-3-one Synonym
- Aranabol Synonym
- 4,17β-Dihydroxy-17-methylandrost-4-en-3-one Synonym
- Anamidol Synonym
- Oxymestrone Synonym
- Theranabol Synonym
- NSC 45048 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.46 g/mol | CAS Common Chemistry |
| 318.45700000000005 g/mol | RDKit | |
| 318.457 g/mol | RDKit | |
| Canonical SMILES | O=C1C(O)=C2CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RXXBBHGCAXVBES-XMUHMHRVSA-N | CAS Common Chemistry |
| Melting Point | 170 °C | CAS Common Chemistry |
| Name | Oxymesterone | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 4.155000000000005 | RDKit |
| 4.155 | RDKit | |
| Molar Refractivity | 88.90560000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.85 | RDKit |
| Exact Mass | 318.21949481999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
External Resources
Convert
Quick conversion
MW = 318.46 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H30O3.
