Structure database (LMSD)

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LM IDLMPK15030006
Common Name5-n-tricosylresorcinol
Systematic Name5-tricosylbenzene-1,3-diol
Synonyms-
Exact Mass
432.3967 (neutral)    Calculate m/z:
FormulaC29H52O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID155462
HMDB IDHMDB0038524
InChIKeyOHTBGMREZYLZQD-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C29H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-2
7-24-28(30)26-29(31)25-27/h24-26,30-31H,2-23H2,1H3
SMILESC1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings1Aromatic Rings1Rotatable Bonds22
 van der Waals
Molecular Volume
496.66Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP9.85Molar
Refractivity
136.11