Structure Database (LMSD)
Common Name
17-Methyltestosterone
Systematic Name
17β-hydroxy-17-methylandrost-4-en-3-one
Synonyms
LM ID
LMST02020029
Formula
Exact Mass
Calculate m/z
302.22458
Sum Composition
Status
Active
3D model of 17-Methyltestosterone
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
synthetic construct
(#32630)
Sexualhormone X. Herstellung des 17-Methyl-testosterons und anderer Androsten- und Androstanderivate. Zusammenhänge zwischen chemischer Konstitution und männlicher Hormonwirkung,
Helv Chim Acta, 1935
Helv Chim Acta, 1935
String Representations
InChiKey (Click to copy)
GCKMFJBGXUYNAG-HLXURNFRSA-N
InChi (Click to copy)
InChI=1S/C20H30O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h12,15-17,22H,4-11H2,1-3H3/t15-,16+,17+,18+,19+,20+/m1/s1
SMILES (Click to copy)
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@](C)(O)CC[C@@]4([H])[C@]3([H])CCC2=CC(=O)C1
Other Databases
Wikipedia
KEGG ID
HMDB ID
CHEBI ID
LIPIDBANK ID
SST0264
PubChem CID
Cayman ID
GuidePharm ID
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
4.56
Molar Refractivity
87.85
Admin
Created at
-
Updated at
21st Nov 2023