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Molecule
Nandrolone Cypionate
CAS: 601-63-8 · C26H38O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 601-63-8
- Molecular Formula
- C26H38O3
- Molecular Mass
- 398.59 g/mol
Identifiers
CAS Registry Number
601-63-8
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
InChI Key
REWKEGSQGOSEES-FNKXXKKYSA-N
InChI
InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1
Names and Synonyms
- Nandrolone Cypionate Synonym
- Estr-4-en-3-one, 17-(3-cyclopentyl-1-oxopropoxy)-, (17β)- Synonym
- Estr-4-en-3-one, 17β-hydroxy-, cyclopentanepropionate Synonym
- Cyclopentanepropionic acid, ester with 17β-hydroxyestr-4-en-3-one Synonym
- (17β)-17-(3-Cyclopentyl-1-oxopropoxy)estr-4-en-3-one Synonym
- 17β-Hydroxyestr-4-en-3-one cyclopentanepropionate Synonym
- Nortestosterone cypionate Synonym
- Nortestosterone cyclopentanepropionate Synonym
- NSC 40578 Synonym
- Nandrolone cypionate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 398.59 g/mol | CAS Common Chemistry |
| 398.5870000000003 g/mol | RDKit | |
| 398.587 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCC5CCCC5 | CAS Common Chemistry |
| InChI | InChI=1S/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3/t20-,21+,22+,23-,24-,26-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=REWKEGSQGOSEES-FNKXXKKYSA-N | CAS Common Chemistry |
| Name | Nandrolone cypionate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 6.010400000000006 | RDKit |
| 6.0104 | RDKit | |
| Molar Refractivity | 113.16500000000008 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8462 | RDKit |
| 0.85 | chempirical lib | |
| Exact Mass | 398.28209507599996 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
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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.
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MW = 398.59 g/mol. Edit any field — others recompute live.
