Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMST02010000
Common NameEstrane skeleton (W)
Systematic Name-
Synonyms-
Exact Mass-
Formula-
CategorySterol Lipids [ST]
Main ClassSteroids [ST02]
Sub ClassC18 steroids (estrogens) and derivatives [ST0201]
PubChem CID-
CHEBI ID23966
InChIKeyGRXPVLPQNMUNNX-MHJRRCNVSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17
H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1
SMILES[C@]12(CCC3CCCC[C@]3([H])[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H])[H]
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms18Rings4Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
270.52Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.42Molar
Refractivity
76.34