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Mibolerone
CAS: 3704-09-4 | C20H30O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3704-09-4
Molecular Formula:
C20H30O2
Molecular Mass:
302.46 g/mol
Names and Synonyms:
Mibolerone
Estr-4-en-3-one, 17-hydroxy-7,17-dimethyl-, (7α,17β)-
Estr-4-en-3-one, 17β-hydroxy-7α,17-dimethyl-
(7α,17β)-17-Hydroxy-7,17-dimethylestr-4-en-3-one
U 10997
7α,17α-Dimethyl-19-nortestosterone
Mibolerone
Miboleron
7α,17α-Dimethyl-17β-hydroxy-4-estren-3-one
Cheque
Matenon
NSC 72260
Identifiers:
SMILES:
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@@H]21
InChI:
InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Key Properties
Melting Point
150.5-151.5 °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 |
| 302.45799999999997 g/mol | RDKit | |
| 302.2245802 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2CC(C)C3C(CCC4(C)C3CCC4(O)C)C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=PTQMMNYJKCSPET-OMHQDGTGSA-N | CAS Common Chemistry |
| Melting Point | 150.5-151.5 °C | CAS Common Chemistry |
| Name | Mibolerone | 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 | 4.125200000000005 | RDKit |
| Molar Refractivity | 87.26380000000006 | RDKit |
