Structure database (LMSD)

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LM IDLMPK15030030
Common Name5-((5Z,8Z,11Z,14Z)-heptadeca-5,8,11,14-tetraen-1-yl)resorcinol
Systematic Name5-((5Z,8Z,11Z,14Z)-heptadeca-5,8,11,14-tetraen-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
340.2402 (neutral)    Calculate m/z:
FormulaC23H32O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID15719516
InChIKeyNFGWJVSRVVXHIT-LTKCOYKYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C23H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-2
1/h3-4,6-7,9-10,12-13,18-20,24-25H,2,5,8,11,14-17H2,1H3/b4-3-,7-6-,10-9-,13-12-
SMILESC1(O)C=C(CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds12
 van der Waals
Molecular Volume
382.30Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.62Molar
Refractivity
108.03