Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020059
Common Name- (W)
Systematic Name3α-hydroxy-5β-androstan-17-one
Synonyms-
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
PubChem CID5880
KEGG IDC04373
HMDB IDHMDB0000490
CHEBI ID28195
InChIKeyQGXBDMJGAMFCBF-BNSUEQOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(1
4)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1
SMILES[C@@]12([H])CC[C@]3([H])C[C@@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(CC[C@@]21[H])=O
)O
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.76Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.25Molar
Refractivity
83.25