Structure database (LMSD)

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LM IDLMPK15010005
Common Name3-heptadecylphenol
Systematic Name3-heptadecylphenol
Synonyms-
Exact Mass
332.3079 (neutral)    Calculate m/z:
FormulaC23H40O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID313882
InChIKeyUFAKFKCECWXXFP-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C23H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21
-22/h17,19-21,24H,2-16,18H2,1H3
SMILESC1C=C(CCCCCCCCCCCCCCCCC)C=C(O)C=1
StatusActive
ReferencesCardanols from Leaves of Rhus thyrsiflora K. Franke, M. Masaoud, J. Schmidt, Planta Med 67 (2001)
Calculated physicochemical properties (?):
 Heavy Atoms24Rings1Aromatic Rings1Rotatable Bonds16
 van der Waals
Molecular Volume
384.07Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP7.81Molar
Refractivity
106.74