Structure database (LMSD)

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LM IDLMST02020058
Common Name-
Systematic Name5β-androstane-3,17-dione
Synonyms-
Exact Mass
288.2089 (neutral)    Calculate m/z:
FormulaC19H28O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
AbbrevST 19:2;O2
PubChem CID440114
KEGG IDC03772
HMDB IDHMDB0003769
CHEBI ID16985
SWISSLIPIDS IDSLM:000485681
InChIKeyRAJWOBJTTGJROA-QJISAEMRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14+,15+,16+,18+,19+/m1/s1
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SMILES
[C@@]12([H])CC[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O)=O
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
300.12Topological Polar
Surface Area
34.14Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
2
 logP4.17Molar
Refractivity
81.74