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Methyltrienolone
CAS: 965-93-5 | C19H24O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
965-93-5
Molecular Formula:
C19H24O2
Molecular Mass:
284.40 g/mol
Names and Synonyms:
Methyltrienolone
Estra-4,9,11-trien-3-one, 17-hydroxy-17-methyl-, (17β)-
Estra-4,9,11-trien-3-one, 17β-hydroxy-17-methyl-
(17β)-17-Hydroxy-17-methylestra-4,9,11-trien-3-one
R 1881
17β-Hydroxy-17-methylestra-4,9,11-trien-3-one
Methyltrienolone
Metribolone
3-Oxo-17β-hydroxy-17α-methylestra-4,9,11-triene
17α-Methyl-17β-hydroxyestra-4,9,11-trien-3-one
3-Oxo-17β-hydroxy-17-methylestra-4,9,11-triene
17α-Methyltrienolone
RU 1881
17α-Methyl-3-oxo-4,9,11-estratrien-17β-ol
17α-Methyl-17β-hydroxyestra-4,9(10),11-trien-3-one
NSC 92858
Identifiers:
SMILES:
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C
InChI:
InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1
Key Properties
Melting Point
170 °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 | 284.40 g/mol | CAS Common Chemistry |
| 284.399 g/mol | RDKit | |
| 284.177630008 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2C(=C3C=CC4(C)C(CCC4(O)C)C3CC2)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=CCCIJQPRIXGQOE-XWSJACJDSA-N | CAS Common Chemistry |
| Melting Point | 170 °C | CAS Common Chemistry |
| Name | Methyltrienolone | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 3.719400000000003 | RDKit |
| Molar Refractivity | 82.66880000000003 | RDKit |
