Structure database (LMSD)
Return to Databases Overview

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020002
Common NameTestosterone (W)
Systematic Name17β-hydroxyandrost-4-en-3-one
Synonyms-
Exact Mass
288.2089 (neutral)    Calculate m/z:
FormulaC19H28O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0020
PubChem CID6013
KEGG IDC00535
HMDB IDHMDB0000234
CHEBI ID17347
SWISSLIPIDS IDSLM:000001059
CAYMAN IDISO60154
InChIKeyMUMGGOZAMZWBJJ-DYKIIFRCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
Click to highlight InChI
SMILES
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
Click to highlight SMILES
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume		300.12Topological Polar
Surface Area		37.30Hydrogen
Bond Donors		1Hydrogen
Bond Acceptors		2
 logP4.17Molar
Refractivity		83.23