Back to Search
Norethisterone Enanthate
CAS: 3836-23-5 | C27H38O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3836-23-5
Molecular Formula:
C27H38O3
Molecular Mass:
410.60 g/mol
Names and Synonyms:
Norethisterone Enanthate
19-Norpregn-4-en-20-yn-3-one, 17-[(1-oxoheptyl)oxy]-, (17α)-
19-Nor-17α-pregn-4-en-20-yn-3-one, 17-hydroxy-, heptanoate
Heptanoic acid, ester with 17-hydroxy-19-nor-17α-pregn-4-en-20-yn-3-one
(17α)-17-[(1-Oxoheptyl)oxy]-19-norpregn-4-en-20-yn-3-one
Norethindrone enanthate
Norethisterone enanthate
17α-Ethynyl-19-nortestosterone enanthate
17α-Ethynyl-19-nortestosterone 17-heptanoate
Noristerat
SH 8.0393
Norigest
ZK 5410
Norethisterone heptanoate
NSC 22846
Identifiers:
SMILES:
C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI:
InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1
Key Properties
Melting Point
68-71 °C @ Solvent: Hexane
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 | 410.60 g/mol | CAS Common Chemistry |
| 410.59800000000024 g/mol | RDKit | |
| 410.28209507599996 g/mol | RDKit | |
| Canonical SMILES | O=C(OC1(C#C)CCC2C3CCC4=CC(=O)CCC4C3CCC21C)CCCCCC | CAS Common Chemistry |
| InChI | InChI=1S/C27H38O3/c1-4-6-7-8-9-25(29)30-27(5-2)17-15-24-23-12-10-19-18-20(28)11-13-21(19)22(23)14-16-26(24,27)3/h2,18,21-24H,4,6-17H2,1,3H3/t21-,22+,23+,24-,26-,27-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=APTGJECXMIKIET-WOSSHHRXSA-N | CAS Common Chemistry |
| Melting Point | 68-71 °C @ Solvent: Hexane | CAS Common Chemistry |
| Name | Norethisterone enanthate | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| LogP | 6.013800000000007 | RDKit |
| Molar Refractivity | 118.50800000000005 | RDKit |
