Structure Database (LMSD)

Common Name
Ethyltestosterone
Systematic Name
17β-hydroxy-pregn-4-en-3-one
Synonyms
LM ID
LMST02030201
Formula
Exact Mass
Calculate m/z
316.24023
Sum Composition
Status
Active

Main

Classification

String Representations

InChiKey (Click to copy)
FGPGANCDNDLUST-CEGNMAFCSA-N
InChi (Click to copy)
InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@](O)(CC)CC[C@@]21[H]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Dictionary of Steroids: Chemical Data, Structures, and Bibliographies

Other Databases

Wikipedia
HMDB ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 334.72
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 4.95
Molar Refractivity 92.46

Admin

Created at
-
Updated at
20th Mar 2024