Structure database (LMSD)

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LM IDLMPK15030003
Common Name5-n-heptadecylresorcinol
Systematic Name5-heptadecylbenzene-1,3-diol
Synonyms-
Exact Mass
348.3028 (neutral)    Calculate m/z:
FormulaC23H40O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl resorcinols and derivatives [PK1503]
PubChem CID181700
HMDB IDHMDB0038530
InChIKeyBBGNINPPDHJETF-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(2
5)19-21/h18-20,24-25H,2-17H2,1H3
SMILESC1(O)C=C(CCCCCCCCCCCCCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings1Aromatic Rings1Rotatable Bonds16
 van der Waals
Molecular Volume
392.86Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP7.51Molar
Refractivity
108.40