Structure database (LMSD)

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LM IDLMST02010044
Common Namenandrolone (W)
Systematic Name17β-hydroxyestr-4-en-3-one
Synonyms(17β)-17-hydroxyestr-4-en-3-one; 17β-hydroxy-19-nor-4-androsten-3-one; 17β-
hydroxy-4-estren-3-one; 19-Norandrostenolone; 19-Nortestosterone; 4-estren-
17β-ol-3-one; Nandrolone
Exact Mass
274.1933 (neutral)    Calculate m/z:
FormulaC18H26O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC18 steroids (estrogens) and derivatives [ST0201]
PubChem CID9904
KEGG IDC07254
HMDB IDHMDB0002725
CHEBI ID7466
SWISSLIPIDS IDSLM:000501177
CAYMAN ID21173
InChIKeyNPAGDVCDWIYMMC-IZPLOLCNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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)2
0/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1
SMILESC1[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
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
282.82Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP3.78Molar
Refractivity
78.61