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Molecule
Nandrolone Acetate
CAS: 1425-10-1 · C20H28O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1425-10-1
- Molecular Formula
- C20H28O3
- Molecular Mass
- 316.44 g/mol
Identifiers
CAS Registry Number
1425-10-1
SMILES
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
InChI Key
TTWYUPSVWLOIRF-XGXHKTLJSA-N
InChI
InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1
Names and Synonyms
- Nandrolone Acetate Common Name
- Estr-4-en-3-one, 17-(acetyloxy)-, (17β)- Synonym
- Estr-4-en-3-one, 17β-hydroxy-, acetate Synonym
- (17β)-17-(Acetyloxy)estr-4-en-3-one Synonym
- 19-Nortestosterone acetate Synonym
- 3-Oxo-4-estren-17β-yl acetate Synonym
- 19-Nortestosterone 17-acetate Synonym
- Nandrolone acetate Synonym
- 17β-Acetoxy-19-norandrost-4-en-3-one Synonym
- 17β-Acetoxyestr-4-en-3-one Synonym
- NSC 73213 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 316.44 g/mol | CAS Common Chemistry |
| 316.4410000000001 g/mol | RDKit | |
| 316.441 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)C | CAS Common Chemistry |
| InChI | InChI=1S/C20H28O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h11,15-19H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=TTWYUPSVWLOIRF-XGXHKTLJSA-N | CAS Common Chemistry |
| Melting Point | 91-93 °C | CAS Common Chemistry |
| Name | Nandrolone acetate | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 4.059900000000003 | RDKit |
| 4.0599 | RDKit | |
| Molar Refractivity | 87.64700000000005 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 316.20384475599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
100
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40
20
0 ppm
| 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 = 316.44 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H28O3.
