Structure Database (LMSD)

H H H H O HO
Common Name
Mesterolone
Systematic Name
1α-Methyl-5α-androstan-17β-hydroxy-3-one
Synonyms
  • 1alpha-Methyl-5alpha-androstan-17beta-ol-3-one
LM ID
LMST02020107
Formula
C20H32O2
Exact Mass
Calculate m/z
304.24023
Sum Composition
ST 20:1;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

String Representations

InChiKey (Click to copy)
UXYRZJKIQKRJCF-TZPFWLJSSA-N
InChi (Click to copy)
InChI=1S/C20H32O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h12-13,15-18,22H,4-11H2,1-3H3/t12-,13-,15-,16-,17-,18-,19-,20-/m0/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])CC(=O)C[C@H](C)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
[Experimental animal studies with a new androgen--mesterolone (1-alpha-methyl-5-alpha-androstan-17-beta-ol-one)].,
Arzneimittelforschung, 1966
Pubmed ID: 6014248

Other Databases

Wikipedia
Mesterolone
HMDB ID
HMDB0006036
CHEBI ID
135293
PubChem CID
15020
Cayman ID
21171

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 4.49
Molar Refractivity 87.80

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Created at
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Updated at
2nd Aug 2024