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Trenbolone
CAS: 10161-33-8 | C18H22O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10161-33-8
Molecular Formula:
C18H22O2
Molecular Mass:
270.37 g/mol
Names and Synonyms:
Trenbolone
Estra-4,9,11-trien-3-one, 17-hydroxy-, (17β)-
Estra-4,9,11-trien-3-one, 17β-hydroxy-
(17β)-17-Hydroxyestra-4,9,11-trien-3-one
Trenbolone
17β-Hydroxyestra-4,9,11-trien-3-one
9,10,11,12-Dehydro-19-nortestosterone
Trienbolone
RU 2341
17β-Trenbolone
β-Trenbolone
(+)-Trenbolone
Identifiers:
SMILES:
C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O
InChI:
InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1
Key Properties
Melting Point
186 °C
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 | 270.37 g/mol | CAS Common Chemistry |
| 270.37199999999996 g/mol | RDKit | |
| 270.161979944 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2C(=C3C=CC4(C)C(O)CCC4C3CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h8-10,15-17,20H,2-7H2,1H3/t15-,16+,17+,18+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=MEHHPFQKXOUFFV-OWSLCNJRSA-N | CAS Common Chemistry |
| Melting Point | 186 °C | CAS Common Chemistry |
| Name | Trenbolone | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 3.329300000000002 | RDKit |
| Molar Refractivity | 78.05180000000003 | RDKit |
