Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020070
Common Name-
Systematic Name17β,19-dihydroxyandrost-4-en-3-one
Synonyms-
Exact Mass
304.2038 (neutral)    Calculate m/z:
FormulaC19H28O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
PubChem CID150968
KEGG IDC05294
HMDB IDHMDB0060089
CHEBI ID798
InChIKeyYLTCTXBDDHSLCS-KOUJMVCDSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,1
6)11-20/h10,14-17,20,22H,2-9,11H2,1H3/t14-,15-,16-,17-,18-,19+/m0/s1
SMILES[C@]12(CO)CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@H](O)[C@]3(CC[C@]21[H])C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
308.91Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.42Molar
Refractivity
85.13