Structure Database (LMSD)

Common Name
Mestanolone
Systematic Name
17β-hydroxy-17-methyl-androstan-3-one
Synonyms
LM ID
LMST02020027
Status
Active
Exact Mass
Calculate m/z
304.24023
Formula
C20H32O2
Abbrev
ST 20:1;O2
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]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
WYZDXEKUWRCKOB-YDSAWKJFSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC(=O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Sexualhormone X. Herstellung des 17-Methyl-testosterons und anderer Androsten- und Androstanderivate. Zusammenhänge zwischen chemischer Konstitution und männlicher Hormonwirkung,
Helv Chim Acta, 1935

Other Databases

Wikipedia
Mestanolone
CHEBI ID
31825
LIPIDBANK ID
SST0260
PubChem CID
10633

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 320.06
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.64
Molar Refractivity 87.87

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Created at
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Updated at
9th May 2022