Structure Database (LMSD)

Common Name
11-Ketodihydrotestosterone
Systematic Name
17β-hydroxyandrostan-3,11-dione
Synonyms
  • Adrenosterone-M
LM ID
LMST02020122
Status
Active
Exact Mass
Calculate m/z
304.203845
Formula
C19H28O3
Abbrev
ST 19:2;O3
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

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

String Representations

InChiKey (Click to copy)
RSQKILYTRHKUIJ-HZGXJFKTSA-N
InChi (Click to copy)
InChI=1S/C19H28O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11,13-14,16-17,22H,3-10H2,1-2H3/t11-,13-,14-,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])C(=O)C[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CC[C@@]2([H])CC(=O)C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Homo sapiens (#9606)
Mammalia (#40674)
11β-Hydroxydihydrotestosterone and 11-ketodihydrotestosterone, novel C19 steroids with androgenic activity: a putative role in castration resistant prostate cancer?,
Mol Cell Endocrinol, 2013
Pubmed ID: 23856005

Other Databases

Wikipedia
11-Ketodihydrotestosterone
PubChem CID
11197479

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 308.91
Topological Polar Surface Area 54.37
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 3.42
Molar Refractivity 83.64

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Created at
4th May 2021
Updated at
4th May 2021