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Molecule
17Β-Hydroxy-17-Methyl-2-Oxa-5Α-Androstan-3-One
CAS: 53-39-4 · C19H30O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 53-39-4
- Molecular Formula
- C19H30O3
- Molecular Mass
- 306.45 g/mol
Identifiers
CAS Registry Number
53-39-4
SMILES
C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI Key
QSLJIVKCVHQPLV-PEMPUTJUSA-N
InChI
InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1
Names and Synonyms
- 17Β-Hydroxy-17-Methyl-2-Oxa-5Α-Androstan-3-One Synonym
- Cyclopenta[5,6]naphtho[1,2-c]pyran-2(1H)-one, tetradecahydro-7-hydroxy-4a,6a,7-trimethyl-, (4aS,4bS,6aS,7S,9aS,9bR,11aS)- Synonym
- 2-Oxa-5α-androstan-3-one, 17β-hydroxy-17-methyl- Synonym
- 2-Oxaandrostan-3-one, 17-hydroxy-17-methyl-, (5α,17β)- Synonym
- (4aS,4bS,6aS,7S,9aS,9bR,11aS)-Tetradecahydro-7-hydroxy-4a,6a,7-trimethylcyclopenta[5,6]naphtho[1,2-c]pyran-2(1H)-one Synonym
- SC 11585 Synonym
- Anavar Synonym
- 17-Methyl-2-oxa-5α-androstan-17β-ol-3-one Synonym
- Oxandrolone Synonym
- 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one Synonym
- 17β-Hydroxy-17α-methyl-2-oxa-5α-androstan-3-one Synonym
- Vasorome Synonym
- 8075CB Synonym
- Protivar Synonym
- Oxandrin Synonym
- Oxandren Synonym
- Lonavar Synonym
- NSC 67068 Synonym
- Provitar Synonym
- (17β)-Oxandrolone Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 235-238 °C | CAS Common Chemistry |
| Molecular Mass | 306.45 g/mol | CAS Common Chemistry |
| 306.446 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC2(C)C(C1)CCC3C2CCC4(C)C3CCC4(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H30O3/c1-17-11-22-16(20)10-12(17)4-5-13-14(17)6-8-18(2)15(13)7-9-19(18,3)21/h12-15,21H,4-11H2,1-3H3/t12-,13+,14-,15-,17-,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=QSLJIVKCVHQPLV-PEMPUTJUSA-N | CAS Common Chemistry |
| Name | 17β-Hydroxy-17-methyl-2-oxa-5α-androstan-3-one | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | 3.543100000000003 | RDKit |
| 3.5431 | RDKit | |
| Molar Refractivity | 84.07580000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9474 | RDKit |
| 0.95 | chempirical lib | |
| Exact Mass | 306.21949481999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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 = 306.45 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H30O3.
