Structure Database (LMSD)
Common Name
19-oxo-testosterone
Systematic Name
17β-hydroxyandrost-4-en-3,19-dione
Synonyms
LM ID
LMST02020145
Formula
Exact Mass
Calculate m/z
302.188195
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 19-oxo-testosterone
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)
TXNCGXATKOMEQC-KOUJMVCDSA-N
InChi (Click to copy)
InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES (Click to copy)
[C@@]12(C=O)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CCC1=CC(=O)CC2
References
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
Rotatable Bonds
1
Van der Waals Molecular Volume
306.27
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.34
Molar Refractivity
83.62
Reactions
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Admin
Created at
29th Nov 2023
Updated at
29th Nov 2023