Structure Database (LMSD)

Common Name
3,17-dioxoandrost-4-en-19-al
Systematic Name
3,17-dioxoandrost-4-en-19-al
Synonyms
  • 19-Aldehydo-4-androstene-3,17-dione
  • 19-Aldoandrostenedione
  • 19-Keto-delta(4) androstene-3,17-dione
  • 19-Oxo-delta(4) androstene-3,17-dione
  • 19-Oxoandrost-4-ene-3,17-dione
  • 19-Oxoandrostendione
  • 19-Oxoandrostenedione
  • 4-Androstene-3,17-dione-19-al
LM ID
LMST02020083
Formula
C19H24O3
Exact Mass
Calculate m/z
300.172545
Sum Composition
ST 19:4;O3
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)
XRCFMDPVHKVRDJ-BGJMDTOESA-N
InChi (Click to copy)
InChI=1S/C19H24O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11,14-16H,2-9H2,1H3/t14-,15-,16-,18-,19+/m0/s1
SMILES (Click to copy)
[C@]12(C)CC[C@@]3([H])[C@@]([H])(CCC4=CC(=O)CC[C@]34C=O)[C@]1([H])CCC2=O

Other Databases

KEGG ID
C05297
CHEBI ID
799
PubChem CID
92854

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 0
Rotatable Bonds 1
Van der Waals Molecular Volume 303.63
Topological Polar Surface Area 51.21
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 3.27
Molar Refractivity 82.11

Admin

Created at
-
Updated at
-