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
C19H26O2
Exact Mass
Calculate m/z
286.19328
Sum Composition
ST 19:3;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C19 steroids (androgens) and derivatives [ST0202]

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]

Other Databases

CHEBI ID
29117
PubChem CID
17209

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
-
Updated at
-