Structure Database (LMSD)
Common Name
11-Ketodihydrotestosterone
Systematic Name
17β-hydroxyandrostan-3,11-dione
Synonyms
- Adrenosterone-M
LM ID
LMST02020122
Formula
Exact Mass
Calculate m/z
304.203845
Sum Composition
Status
Active
3D model of 11-Ketodihydrotestosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
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
Mol Cell Endocrinol, 2013
Pubmed ID:
23856005
Other Databases
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
Admin
Created at
4th May 2021
Updated at
4th May 2021