Structure Database (LMSD)
Common Name
Testosterone enanthate
Systematic Name
17-heptanoyl-17β-hydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020075
Formula
Exact Mass
Calculate m/z
400.297745
Sum Composition
Status
Active
3D model of Testosterone enanthate
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)
VOCBWIIFXDYGNZ-IXKNJLPQSA-N
InChi (Click to copy)
InChI=1S/C26H40O3/c1-4-5-6-7-8-24(28)29-23-12-11-21-20-10-9-18-17-19(27)13-15-25(18,2)22(20)14-16-26(21,23)3/h17,20-23H,4-16H2,1-3H3/t20-,21-,22-,23-,25-,26-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])OC(=O)CCCCCC)=O
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
4
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
427.37
Topological Polar Surface Area
43.37
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
3
logP
6.69
Molar Refractivity
115.86
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Created at
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Updated at
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