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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
Names and Synonyms:
Lynestrenol
19-Norpregn-4-en-20-yn-17-ol, (17α)-
19-Nor-17α-pregn-4-en-20-yn-17-ol
(17α)-19-Norpregn-4-en-20-yn-17-ol
3-Desoxy-17α-ethinyl-19-nortestosterone
17α-Ethinyl-17β-hydroxy-Δ4-estrene
17α-Ethynyl-19-nor-4-androsten-17β-ol
Linestrenol
Lynestrenol
Orgametril
17α-Ethynylestrenol
Δ4-17α-Ethinylestren-17β-ol
Ethynylestrenol
17α-Ethynylestr-4-en-17β-ol
17-Ethynylestr-4-en-17β-ol
17α-Ethynyl-17β-hydroxyestr-4-ene
3-Desoxynorlutin
Orgametil
Exlutona
Exluton
Orgametrol
Org 485-50
17α-Ethynyl-17β-hydroxy-Δ4-estrene
Ovoresta M
Physiostat
Ovamezzo
Fysionorm
Exlutena
NSC 37725
Ovoresta
NSC 73879
Identifiers:
SMILES:
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
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
Key Properties
Melting Point
159 °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 | 284.44 g/mol | CAS Common Chemistry |
| 284.443 g/mol | RDKit | |
| 284.214015516 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 |
| Molar Refractivity | 85.48580000000005 | RDKit |
