Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020001
Common NameAndrosterone (W)
Systematic Name3α-hydroxy-5α-androstan-17-one
SynonymsAndrosterone
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0002
PubChem CID5879
KEGG IDC00523
HMDB IDHMDB0000031
CHEBI ID16032
SWISSLIPIDS IDSLM:000001055
CAYMAN ID15872
InChIKeyQGXBDMJGAMFCBF-HLUDHZFRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(1
4)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1
SMILESC1[C@@H](O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(
C)C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.25Molar
Refractivity
83.25