Structure database (LMSD)

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LM IDLMST02020083
Common Name3,17-dioxoandrost-4-en-19-al
Systematic Name3,17-dioxoandrost-4-en-19-al
Synonyms19-Aldehydo-4-androstene-3,17-dione; 19-Aldoandrostenedione; 19-Keto-δ(4)
androstene-3,17-dione; 19-Oxo-δ(4) androstene-3,17-dione; 19-Oxoandrost-4-ene-
3,17-dione; 19-Oxoandrostendione; 19-Oxoandrostenedione; 4-Androstene-3,17-
dione-19-al
Exact Mass
300.1725 (neutral)    Calculate m/z:
FormulaC19H24O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
AbbrevST 19:4;O3
PubChem CID92854
KEGG IDC05297
CHEBI ID799
InChIKeyXRCFMDPVHKVRDJ-BGJMDTOESA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
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
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SMILES
[C@]12(C)CC[C@@]3([H])[C@@]([H])(CCC4=CC(=O)CC[C@]34C=O)[C@]1([H])CCC2=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
303.63Topological Polar
Surface Area
51.21Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
3
 logP3.27Molar
Refractivity
82.11