Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02010050
Common Name-
Systematic Name19-Nor-5-androstenediol
Synonyms-
Exact Mass
276.2089 (neutral)    Calculate m/z:
FormulaC18H28O2
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC18 steroids (estrogens) and derivatives [ST0201]
PubChem CID9900246
HMDB IDHMDB0004590
InChIKeyVVUQRXPUVKXAIO-XFUVECHXSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)2
0/h2,12-17,19-20H,3-10H2,1H3/t12-,13-,14+,15+,16-,17-,18-/m0/s1
SMILES[C@@]12([H])CC=C3C[C@@H](O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H
]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms20Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
285.46Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP3.85Molar
Refractivity
80.12