Back to Search
Molecule
Fluoxymesterone
CAS: 76-43-7 · C20H29FO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 76-43-7
- Molecular Formula
- C20H29FO3
- Molecular Mass
- 336.45 g/mol
Identifiers
CAS Registry Number
76-43-7
SMILES
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChI Key
YLRFCQOZQXIBAB-RBZZARIASA-N
InChI
InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1
Names and Synonyms
- Fluoxymesterone Common Name
- Androst-4-en-3-one, 9-fluoro-11,17-dihydroxy-17-methyl-, (11β,17β)- Synonym
- Androst-4-en-3-one, 9-fluoro-11β,17β-dihydroxy-17-methyl- Synonym
- (11β,17β)-9-Fluoro-11,17-dihydroxy-17-methylandrost-4-en-3-one Synonym
- 11β,17β-Dihydroxy-9α-fluoro-17α-methyl-4-androsten-3-one Synonym
- 9α-Fluoro-11β,17β-dihydroxy-17α-methylandrost-4-ene-3-one Synonym
- 9-Fluoro-11β,17β-dihydroxy-17-methylandrost-4-en-3-one Synonym
- 9α-Fluoro-11β,17β-dihydroxy-17α-methyl-4-androsten-3-one Synonym
- 9α-Fluoro-11β-hydroxy-17-methyltestosterone Synonym
- 9α-Fluoro-11β-hydroxy-17α-methyltestosterone Synonym
- Fluoximesterone Synonym
- Fluoxymesterone Synonym
- Halotestin Synonym
- 17α-Methyl-9α-fluoro-11β-hydroxytestosterone Synonym
- Ultandren Synonym
- Ultandrene Synonym
- U 6040 Synonym
- Androsterolo Synonym
- Androfluorene Synonym
- Androfluorone Synonym
- Fluotestin Synonym
- Testoral Synonym
- Oratestin Synonym
- Ora Testryl Synonym
- Oralsterone Synonym
- Flusteron Synonym
- Flutestos Synonym
- Neo-Ormonal Synonym
- NSC-12165 Synonym
- 9α-Fluoro-11β,17β-dihydroxy-17-methyl-4-androsten-3-one Synonym
- NSC 10704 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.45 g/mol | CAS Common Chemistry |
| 336.44700000000006 g/mol | RDKit | |
| 336.447 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2CCC3C4CCC(O)(C)C4(C)CC(O)C3(F)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H29FO3/c1-17-8-6-13(22)10-12(17)4-5-15-14-7-9-19(3,24)18(14,2)11-16(23)20(15,17)21/h10,14-16,23-24H,4-9,11H2,1-3H3/t14-,15-,16-,17-,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YLRFCQOZQXIBAB-RBZZARIASA-N | CAS Common Chemistry |
| Melting Point | 270 °C | CAS Common Chemistry |
| Name | Fluoxymesterone | CAS Common Chemistry |
| Heavy Atom Count | 24 | 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 | 3.332200000000002 | RDKit |
| 3.3322 | RDKit | |
| Molar Refractivity | 89.07260000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.85 | RDKit |
| Exact Mass | 336.210073008 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 = 336.45 g/mol. Edit any field — others recompute live.
