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Molecule
Lynestrenol
CAS: 52-76-6 · C20H28O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 52-76-6
- Molecular Formula
- C20H28O
- Molecular Mass
- 284.44 g/mol
Identifiers
CAS Registry Number
52-76-6
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
InChI Key
YNVGQYHLRCDXFQ-XGXHKTLJSA-N
InChI
InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Names and Synonyms
- Lynestrenol Common Name
- 19-Norpregn-4-en-20-yn-17-ol, (17α)- Synonym
- 19-Nor-17α-pregn-4-en-20-yn-17-ol Synonym
- (17α)-19-Norpregn-4-en-20-yn-17-ol Synonym
- 3-Desoxy-17α-ethinyl-19-nortestosterone Synonym
- 17α-Ethinyl-17β-hydroxy-Δ4-estrene Synonym
- 17α-Ethynyl-19-nor-4-androsten-17β-ol Synonym
- Linestrenol Synonym
- Lynestrenol Synonym
- Orgametril Synonym
- 17α-Ethynylestrenol Synonym
- Δ4-17α-Ethinylestren-17β-ol Synonym
- Ethynylestrenol Synonym
- 17α-Ethynylestr-4-en-17β-ol Synonym
- 17-Ethynylestr-4-en-17β-ol Synonym
- 17α-Ethynyl-17β-hydroxyestr-4-ene Synonym
- 3-Desoxynorlutin Synonym
- Orgametil Synonym
- Exlutona Synonym
- Exluton Synonym
- Orgametrol Synonym
- Org 485-50 Synonym
- 17α-Ethynyl-17β-hydroxy-Δ4-estrene Synonym
- Ovoresta M Synonym
- Physiostat Synonym
- Ovamezzo Synonym
- Fysionorm Synonym
- Exlutena Synonym
- NSC 37725 Synonym
- Ovoresta Synonym
- NSC 73879 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 284.44 g/mol | CAS Common Chemistry |
| 284.443 g/mol | RDKit | |
| Canonical SMILES | C#CC1(O)CCC2C3CCC4=CCCCC4C3CCC21C | CAS Common Chemistry |
| InChI | InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=YNVGQYHLRCDXFQ-XGXHKTLJSA-N | CAS Common Chemistry |
| Melting Point | 159 °C | CAS Common Chemistry |
| Name | Lynestrenol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 4.313500000000004 | RDKit |
| 4.3135 | RDKit | |
| Molar Refractivity | 85.48580000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 284.214015516 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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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 = 284.44 g/mol. Edit any field — others recompute live.
