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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
Names and Synonyms:
Oxymesterone
4,17β-Dihydroxy-17α-methylandrost-4-en-3-one
4-Hydroxy-17-methyltestosterone
4-Hydroxy-17α-methyltestosterone
Oranabol
Oxymesterone
Androst-4-en-3-one, 4,17-dihydroxy-17-methyl-, (17β)-
Androst-4-en-3-one, 4,17β-dihydroxy-17-methyl-
(17β)-4,17-Dihydroxy-17-methylandrost-4-en-3-one
Aranabol
4,17β-Dihydroxy-17-methylandrost-4-en-3-one
Anamidol
Oxymestrone
Theranabol
NSC 45048
Identifiers:
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:
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
Key Properties
Melting Point
170 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 318.46 g/mol | CAS Common Chemistry |
| 318.45700000000005 g/mol | RDKit | |
| 318.21949481999997 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 |
| Molar Refractivity | 88.90560000000006 | RDKit |
