Structure Database (LMSD)

Common Name
nandrolone
Systematic Name
17β-hydroxyestr-4-en-3-one
Synonyms
  • (17beta)-17-hydroxyestr-4-en-3-one
  • 17beta-hydroxy-19-nor-4-androsten-3-one
  • 17beta-hydroxy-4-estren-3-one
  • 19-Norandrostenolone
  • 19-Nortestosterone
  • 4-estren-17beta-ol-3-one
  • Nandrolone
LM ID
LMST02010044
Formula
C18H26O2
Exact Mass
Calculate m/z
274.19328
Sum Composition
ST 18:2;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Sterol Lipids [ST]
Steroids [ST02]
C18 steroids (estrogens) and derivatives [ST0201]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
synthetic construct (#32630)
Hydroaromatic steroid hormones. Part I. 10-Nortestosterone,
J Chem S, 1950
Equus caballus (#9796)
Mammalia (#40674)
Steroids in equine testes: the identification of endogenous 19-hydroxy and 19-nor neutral steroids by gas chromatography--mass spectrometry.,
J Endocrinol, 1989
Pubmed ID: 2926297

String Representations

InChiKey (Click to copy)
NPAGDVCDWIYMMC-IZPLOLCNSA-N
InChi (Click to copy)
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
SMILES (Click to copy)
C1[C@@]2([H])C(CC[C@]3([H])[C@]2([H])CC[C@@]2([C@H](CC[C@@]32[H])O)C)=CC(=O)C1

Other Databases

Wikipedia
nandrolone
KEGG ID
C07254
HMDB ID
HMDB0002725
CHEBI ID
7466
PubChem CID
9904
SwissLipids ID
SLM:000501177
Cayman ID
21173
PDB ID
6VW
GuidePharm ID
6949

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 282.82
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.78
Molar Refractivity 78.61

Admin

Created at
-
Updated at
-