Structure Database (LMSD)

Common Name
Lynestrenol
Systematic Name
19-norpregn-4-en-20-yn-17α-ol
Synonyms
LM ID
LMST02030127
Status
Active
Exact Mass
Calculate m/z
284.214015
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
YNVGQYHLRCDXFQ-XGXHKTLJSA-N
InChi (Click to copy)
InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
SMILES (Click to copy)
C1CC=C2CC[C@]3([C@]4([H])CC[C@@](O)(C#C)[C@@]4(C)CC[C@]3([H])[C@@]2([H])C1)[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Lynoestrenol,
IARC Monogr Eval Carcinog Risk Chem Hum, 1979
Pubmed ID: 296135

Other Databases

Wikipedia
KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 305.99
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 4.60
Molar Refractivity 86.00

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Created at
-
Updated at
3rd May 2022