Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02030127
Common NameLynestrenol (W)
Systematic Name19-norpregn-4-en-20-yn-17α-ol
Synonyms-
Exact Mass
284.2140 (neutral)    Calculate m/z:
FormulaC20H28O
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]
PubChem CID5857
KEGG IDC13037
InChIKeyYNVGQYHLRCDXFQ-XGXHKTLJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,2
0)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILESC1CC=C2CC[C@]3([C@]4([H])CC[C@@](O)(C#C)[C@@]4(C)CC[C@]3([H])[C@@]2([H])C1)[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
305.99Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP4.60Molar
Refractivity
86.00