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Nandrolone Undecanoate
CAS: 862-89-5 | C29H46O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
862-89-5
Molecular Formula:
C29H46O3
Molecular Mass:
442.68 g/mol
Names and Synonyms:
Nandrolone Undecanoate
Estr-4-en-3-one, 17-[(1-oxoundecyl)oxy]-, (17β)-
Estr-4-en-3-one, 17β-hydroxy-, undecanoate
Undecanoic acid, ester with 17β-hydroxyestr-4-en-3-one
(17β)-17-[(1-Oxoundecyl)oxy]estr-4-en-3-one
Nandrolone undecanoate
Dynabolon
Nandrolone-17β-undecanoate
Identifiers:
SMILES:
CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
InChI:
InChI=1S/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24+,25+,26-,27-,29-/m0/s1
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 | 442.68 g/mol | CAS Common Chemistry |
| 442.68400000000037 g/mol | RDKit | |
| 442.34469533199996 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCCCCCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3/t23-,24+,25+,26-,27-,29-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=GRAAWEGTURLYKP-MVTMSODMSA-N | CAS Common Chemistry |
| Name | Nandrolone undecanoate | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 7.570800000000009 | RDKit |
| Molar Refractivity | 129.20000000000007 | RDKit |
