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
Main
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
References
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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