Structure Database (LMSD)
Common Name
6-dehydrotestosterone
Systematic Name
17β-hydroxyandrosta-4,6-dien-3-one
Synonyms
- 6,7-didehydrotestosterone
- 6-Dehydrotestosterone
LM ID
LMST02020082
Formula
Exact Mass
Calculate m/z
286.19328
Sum Composition
Status
Active
No other lipid differing only in stereochemistry/bond geometry found
3D model of 6-dehydrotestosterone
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)
UMDCOKNNLDEKJB-DYKIIFRCSA-N
InChi (Click to copy)
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,11,14-17,21H,5-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
C1CC(=O)C=C2C=C[C@@]3([H])[C@]4([C@]([C@@H](O)CC4)(C)CC[C@]3([H])[C@@]12C)[H]
References
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
297.48
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
3.94
Molar Refractivity
83.13
Admin
Created at
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Updated at
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