Structure Database (LMSD)

Common Name
Stenbolone
Systematic Name
17β-hydroxy-2-methyl-5α-androst-1-en-3-one
Synonyms
LM ID
LMST02020044
Formula
C20H30O2
Exact Mass
Calculate m/z
302.224581
Sum Composition
ST 20:2;O2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
[Effects of a new anabolic (stenbolone acetate) on the physiology of the normal ovary].,
Ginecol Obstet Mex, 1969
Pubmed ID: 5780804

String Representations

InChiKey (Click to copy)
GYBGISLVORKLBN-YNZDMMAESA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h11,13-16,18,22H,4-10H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC(=O)C=1C

Other Databases

Wikipedia
Stenbolone
KEGG ID
C14490
CHEBI ID
34980
LIPIDBANK ID
SST0299
PubChem CID
234454

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 317.42
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.41
Molar Refractivity 87.78

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Created at
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Updated at
16th Jan 2024