Structure Database (LMSD)
Common Name
11beta-Hydroxyandrostenedione
Systematic Name
11β-hydroxyandrost-4-ene-3,17-dione
Synonyms
- 11beta-OHA4
LM ID
LMST02020066
Formula
Exact Mass
Calculate m/z
302.188195
Sum Composition
Status
Active
3D model of 11beta-Hydroxyandrostenedione
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)
WSCUHXPGYUMQEX-KCZNZURUSA-N
InChi (Click to copy)
InChI=1S/C19H26O3/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/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12([H])[C@@H](O)C[C@]3(C)C(CC[C@@]3([H])[C@]1([H])CCC1=CC(CC[C@]21C)=O)=O
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Carassius auratus
(#7957)
Actinopteri
(#186623)
A quantitative HPLC-MS method for the simultaneous determination of testosterone, 11-ketotestosterone and 11-beta hydroxyandrostenedione in fish serum.,
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
J Chromatogr B Analyt Technol Biomed Life Sci, 2009
Pubmed ID:
19369122
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
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
Cayman ID
Calculated Physicochemical Properties
Heavy Atoms
22
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
306.27
Topological Polar Surface Area
54.37
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
3
logP
3.34
Molar Refractivity
83.62
Admin
Created at
-
Updated at
4th May 2021