Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020021
Common NameDehydroepiandrosterone (W)
Systematic Name3β-hydroxyandrost-5-en-17-one
Synonyms-
Exact Mass
288.2089 (neutral)    Calculate m/z:
FormulaC19H28O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
LIPIDBANK IDSST0185
PubChem CID5881
KEGG IDC01227
HMDB IDHMDB00077
CHEBI ID28689
SWISSLIPIDS IDSLM:000390142
CAYMAN ID15728
InChIKeyFMGSKLZLMKYGDP-USOAJAOKSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=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(1
4)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1
SMILESC1[C@]2(C)[C@@]3([H])CC[C@]4(C)C(=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
300.12Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP4.17Molar
Refractivity
83.23