Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02030097
Common NameNorethindrone (W)
Systematic Name17α-hydroxy-19-norpregn-4-en-20-yn-3-one
Synonyms-
Exact Mass
298.1933 (neutral)    Calculate m/z:
FormulaC20H26O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID6230
KEGG IDC05028
HMDB IDHMDB0014855
CHEBI ID7627
CAYMAN ID20941
InChIKeyVIKNJXKGJWUCNN-XGXHKTLJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(
18,20)2/h1,12,15-18,22H,4-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES[C@@]12([H])CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[
H]
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
312.14Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.78Molar
Refractivity
86.39