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Ethylestrenol
CAS: 965-90-2 | C20H32O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
965-90-2
Molecular Formula:
C20H32O
Molecular Mass:
288.48 g/mol
Names and Synonyms:
Ethylestrenol
Ethylestrenol
19-Norpregn-4-en-17-ol, (17α)-
19-Nor-17α-pregn-4-en-17-ol
(17α)-19-Norpregn-4-en-17-ol
Durabolin-O
Estrenolethyl
17α-Ethyl-17β-hydroxyestr-4-ene
Ethylnandrol
17α-Ethyl-19-norpregn-4-en-17-ol
Maxibalin
Maxibolin
Neodurabolin
Orabolin
Orgabolin
17α-Ethylestr-4-en-17β-ol
17α-Ethyl-17-hydroxyestr-4-ene
17β-Hydroxy-17α-ethylestr-4-ene
Duraboral
Org 483
Orgaboral
NSC 37726
Ethyloestrenol
19-Norpregn-4-en-17α-ol
Identifiers:
SMILES:
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
InChI:
InChI=1S/C20H32O/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/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Key Properties
Melting Point
76-78 °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 | 288.48 g/mol | CAS Common Chemistry |
| 288.475 g/mol | RDKit | |
| 288.245315644 g/mol | RDKit | |
| Canonical SMILES | OC1(CC)CCC2C3CCC4=CCCCC4C3CCC21C | CAS Common Chemistry |
| InChI | InChI=1S/C20H32O/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/h6,15-18,21H,3-5,7-13H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=AOXRBFRFYPMWLR-XGXHKTLJSA-N | CAS Common Chemistry |
| Melting Point | 76-78 °C | CAS Common Chemistry |
| Name | Ethylestrenol | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 5.090300000000005 | RDKit |
| Molar Refractivity | 86.94380000000007 | RDKit |
