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Testosterone
CAS: 58-22-0 | C19H28O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
58-22-0
Molecular Formula:
C19H28O2
Molecular Weight:
288.431 g/mol
Names and Synonyms:
Testosterone
CDB 111C
Androderm
Livensa
Natesto
(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
AndroForte 5
Axiron
Testopel
Testopatch
Compleo
Nasobol
Glowmin
Noseafix
(+)-Testosterone
Opterone
Striant
Intrinsa
Testogel
COL 1621
17β-Testosterone
Tostrex
Andropatch
AA 2500
Testim
NSC 9700
CP 601B
Oreton
Synandrol F
Testro AQ
Testolin
Andro 100
Tostrelle
Viatrel
AndroGel
Relibra
Testoderm
Testolent
Androst-4-ene-17β-ol-3-one
4-Androsten-3-one-17β-ol
Δ4-Androsten-17β-ol-3-one
Neotestis
Testoviron T
Perandren
Testopropon
Cristerona T
Testosteron
17β-Hydroxyandrost-4-ene-3-one
Virosterone
Virormone
Testryl
Testrone
Testoviron Schering
Testosteroid
Testobase
Testiculosterone
Testandrone
Teslen
Primoteston
Primotest
Percutacrine androgenique
Orquisteron
Mertestate
17β-Hydroxyandrost-4-en-3-one
17β-Hydroxy-Δ4-androsten-3-one
Homosterone
Homosteron
Geno-cristaux Gremy
Andrusol
Androst-4-en-17β-ol-3-one
Andronaq
Androlin
(17β)-17-Hydroxyandrost-4-en-3-one
Testosterone
Androst-4-en-3-one, 17-hydroxy-, (17β)-
Identifiers:
SMILES:
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChI:
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 288.431 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 288.208930136 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 21 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 3.879200000000003 | RDKit |
| molecular_mass | 288.43 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Testosterone None | Legacy Database |
| cas-canonical-smile | O=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1 None | Legacy Database |
| cas-inchi | InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=MUMGGOZAMZWBJJ-DYKIIFRCSA-N None | Legacy Database |
| cas-melting-point | 155 °C None | Legacy Database |
| cas-name | Testosterone None | Legacy Database |
| wikipedia-name | Testosterone None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 82.71680000000005 | RDKit |
