Structure database (LMSD)

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LM IDLMPK15010006
Common Name3-nonadecylphenol
Systematic Name3-nonadecylphenol
Synonyms-
Exact Mass
360.3392 (neutral)    Calculate m/z:
FormulaC25H44O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID85537989
InChIKeyCVAJGZCZYKYYFH-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H44O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24-21-19-22-25
(26)23-24/h19,21-23,26H,2-18,20H2,1H3
SMILESC1C=C(CCCCCCCCCCCCCCCCCCC)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 Atoms26Rings1Aromatic Rings1Rotatable Bonds18
 van der Waals
Molecular Volume
418.67Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP8.59Molar
Refractivity
115.97