Structure database (LMSD)

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LM IDLMPK15030013
Common Name5-heptacosylresorcinol
Systematic Name5-heptacosylbenzene-1,3-diol
Synonyms-
Exact Mass
488.4593 (neutral)    Calculate m/z:
FormulaC33H60O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID86043585
InChIKeyLNHZINSBVLHRFL-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C33H60O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-2
6-27-31-28-32(34)30-33(35)29-31/h28-30,34-35H,2-27H2,1H3
SMILESC1(O)C=C(CCCCCCCCCCCCCCCCCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings1Aromatic Rings1Rotatable Bonds26
 van der Waals
Molecular Volume
565.86Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP11.41Molar
Refractivity
154.57