Structure Database (LMSD)
Common Name
Testosterone acetate
Systematic Name
17β-hydroxyandrost-4-en-3-one, 17-acetate
Synonyms
LM ID
LMST02020057
Formula
Exact Mass
Calculate m/z
330.219495
Sum Composition
Status
Active
3D model of Testosterone acetate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
DJPZSBANTAQNFN-PXQJOHHUSA-N
InChi (Click to copy)
InChI=1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)OC(=O)C
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
340.87
Topological Polar Surface Area
43.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
4.74
Molar Refractivity
92.78
Admin
Created at
-
Updated at
-