Structure Database (LMSD)
Systematic Name
7α-hydroxyandrost-4-ene-3,17-dione
Synonyms
LM ID
LMST02020071
Formula
Exact Mass
Calculate m/z
302.188195
Sum Composition
Status
Active
3D model of
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)
LFWLQMQUJQUZBD-TYHLISGHSA-N
InChi (Click to copy)
InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12([H])CC[C@]3(C)C(CC[C@@]3([H])[C@]1([H])[C@H](O)CC1=CC(CC[C@]21C)=O)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
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
Admin
Created at
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Updated at
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