Structure Database (LMSD)
Common Name
11-Ketoandrosterone
Systematic Name
3α-hydroxy-5α-Androstan-11,17-dione
Synonyms
- 5alpha-Androstan-3alpha-ol-11,17-dione
LM ID
LMST02020087
Formula
Exact Mass
Calculate m/z
304.203845
Sum Composition
Status
Active
3D model of 11-Ketoandrosterone
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)
IUNYGQONJQTULL-UFTZPVOZSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-14,17,20H,3-10H2,1-2H3/t11-,12+,13-,14-,17+,18-,19-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C(=O)C[C@]1(C)C(=O)CC[C@@]21[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
308.91
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.42
Molar Refractivity
83.64
Admin
Created at
-
Updated at
10th Mar 2023