Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02020064
Common Name16α-Hydroxydehydroepiandrosterone
Systematic Name3β,16α-dihydroxy-5-androsten-17-one
Synonyms-
Exact Mass
304.2038 (neutral)    Calculate m/z:
FormulaC19H28O3
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC19 steroids (androgens) and derivatives [ST0202]
PubChem CID102030
KEGG IDC05139
HMDB IDHMDB0000352
CHEBI ID27771
InChIKeyQQIVKFZWLZJXJT-DNKQKWOHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)1
7(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16+,18-,19-/m0/s1
SMILES[C@@]12([H])CC=C3C[C@H](CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C([C@H](O)C[C@@]21[H])=O)
O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms22Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
308.91Topological Polar
Surface Area
57.53Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
3
 logP3.42Molar
Refractivity
85.13