Structure database (LMSD)

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LM IDLMST02020065
Common Name-
Systematic Name16α-hydroxyandrost-4-ene-3,17-dione
Synonyms-
Exact Mass
302.1882 (neutral)    Calculate m/z:
FormulaC19H26O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
AbbrevST 19:3;O3
PubChem CID440574
KEGG IDC05140
HMDB IDHMDB0006774
CHEBI ID27582
InChIKeySSBCZTXGVMMZOT-NBBHSKLNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h9,13-16,21H,3-8,10H2,1-2H3/t13-,14+,15+,16-,18+,19+/m1/s1
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SMILES
[C@@]12([H])CCC3=CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C([C@H](O)C[C@@]21[H])=O)=O
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
306.27Topological Polar
Surface Area
54.37Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
3
 logP3.34Molar
Refractivity
83.62