Structure Database (LMSD)
Common Name
Epitestosterone
Systematic Name
17α-hydroxyandrost-4-en-3-one
Synonyms
LM ID
LMST02020051
Formula
Exact Mass
Calculate m/z
288.20893
Sum Composition
Status
Active
3D model of Epitestosterone
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)
MUMGGOZAMZWBJJ-KZYORJDKSA-N
InChi (Click to copy)
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
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H](O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1
References
Other Databases
Wikipedia
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
300.12
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.17
Molar Refractivity
83.23
Admin
Created at
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Updated at
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