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Methenolone
CAS: 153-00-4 | C20H30O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
153-00-4
Molecular Formula:
C20H30O2
Molecular Mass:
302.46 g/mol
Names and Synonyms:
Methenolone
Androst-1-en-3-one, 17-hydroxy-1-methyl-, (5α,17β)-
5α-Androst-1-en-3-one, 17β-hydroxy-1-methyl-
(5α,17β)-17-Hydroxy-1-methylandrost-1-en-3-one
Metenolone
17β-Hydroxy-1-methyl-5α-androst-1-en-3-one
Methenolon
Methenolone
1-Methyl-Δ1-androsten-17β-ol-3-one
1-Methyl-5α-androst-1-en-17β-ol-3-one
Identifiers:
SMILES:
CC1=CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C
InChI:
InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1
Key Properties
Melting Point
149.5-152 °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 | 302.46 g/mol | CAS Common Chemistry |
| 302.4580000000001 g/mol | RDKit | |
| 302.2245802 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C(C)C2(C)C(C1)CCC3C2CCC4(C)C(O)CCC34 | CAS Common Chemistry |
| InChI | InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h10,13,15-18,22H,4-9,11H2,1-3H3/t13-,15-,16-,17-,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ANJQEDFWRSLVBR-VHUDCFPWSA-N | CAS Common Chemistry |
| Melting Point | 149.5-152 °C | CAS Common Chemistry |
| Name | Methenolone | CAS Common Chemistry |
| Heavy Atom Count | 22 | 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 | 4.125200000000004 | RDKit |
| Molar Refractivity | 87.26380000000006 | RDKit |
