Structure database (LMSD)

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LM IDLMPK15030029
Common Name5-((5Z,8Z,11Z)-heptadeca-5,8,11-trien-1-yl)resorcinol
Systematic Name5-((5Z,8Z,11Z)-heptadeca-5,8,11-trien-1-yl)benzene-1,3-diol
Synonyms-
Exact Mass
342.2559 (neutral)    Calculate m/z:
FormulaC23H34O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID23426966
InChIKeyYABYVJPKSFTCBG-QNEBEIHSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C23H34O2/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/h6-7,9-10,12-13,18-20,24-25H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
SMILESC1(O)C=C(CCCC/C=C\C/C=C\C/C=C\CCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds13
 van der Waals
Molecular Volume
384.94Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.84Molar
Refractivity
108.12