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Molecule
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
Identifiers
CAS Registry Number
965-90-2
SMILES
CC[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C
InChI Key
AOXRBFRFYPMWLR-XGXHKTLJSA-N
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
Names and Synonyms
- Ethylestrenol Common Name
- Ethylestrenol Synonym
- 19-Norpregn-4-en-17-ol, (17α)- Synonym
- 19-Nor-17α-pregn-4-en-17-ol Synonym
- (17α)-19-Norpregn-4-en-17-ol Synonym
- Durabolin-O Synonym
- Estrenolethyl Synonym
- 17α-Ethyl-17β-hydroxyestr-4-ene Synonym
- Ethylnandrol Synonym
- 17α-Ethyl-19-norpregn-4-en-17-ol Synonym
- Maxibalin Synonym
- Maxibolin Synonym
- Neodurabolin Synonym
- Orabolin Synonym
- Orgabolin Synonym
- 17α-Ethylestr-4-en-17β-ol Synonym
- 17α-Ethyl-17-hydroxyestr-4-ene Synonym
- 17β-Hydroxy-17α-ethylestr-4-ene Synonym
- Duraboral Synonym
- Org 483 Synonym
- Orgaboral Synonym
- NSC 37726 Synonym
- Ethyloestrenol Synonym
- 19-Norpregn-4-en-17α-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 288.48 g/mol | CAS Common Chemistry |
| 288.475 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 |
| 5.0903 | RDKit | |
| Molar Refractivity | 86.94380000000007 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 288.245315644 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
External Resources
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MW = 288.48 g/mol. Edit any field — others recompute live.
