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
C20H28O
Abbrev
ST 20:3;O
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

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
Lynestrenol
KEGG ID
C13037
CHEBI ID
31790
PubChem CID
5857

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
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Updated at
3rd May 2022