Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPK15030001
Common NameBilobol
Systematic Name(Z)-5-(pentadec-8-en-1-yl)benzene-1,3-diol
Synonyms5-Pentadecenylresorcinol; 5-[(Z)-Pentadec-8-enylo]resorcinol
Exact Mass
318.2559 (neutral)    Calculate m/z:
FormulaC21H34O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID5281852
InChIKeyTUGAUFMQYWZJAB-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-1
9/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-
SMILESC1(O)C=C(CCCCCCC/C=C\CCCCCC)C=C(O)C=1
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
355.62Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.51Molar
Refractivity
99.08