Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020005
Common NameAndrostenediol (W)
Systematic Nameandrost-5-en-3β,17β-diol
Synonyms-
Exact Mass
290.2246 (neutral)    Calculate m/z:
FormulaC19H30O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0026
PubChem CID10634
KEGG IDC04295
HMDB IDHMDB0003818
CHEBI ID2710
SWISSLIPIDS IDSLM:000485341
InChIKeyQADHLRWLCPCEKT-LOVVWNRFSA-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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@H](O)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms21Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
302.76Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP4.24Molar
Refractivity
84.74