Structure database (LMSD)

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LM IDLMPK15010008
Common Name(Z)-3-(henicos-14-en-1-yl)phenol
Systematic Name(Z)-3-(henicos-14-en-1-yl)phenol
Synonyms-
Exact Mass
386.3549 (neutral)    Calculate m/z:
FormulaC27H46O
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl phenols and derivatives [PK1501]
PubChem CID126457707
InChIKeyKTZQVFBRDCNKPR-FPLPWBNLSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C27H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-26-23-21-24-27
(28)25-26/h7-8,21,23-25,28H,2-6,9-20,22H2,1H3/b8-7-
SMILESC1C=C(CCCCCCCCCCCCC/C=C\CCCCCC)C=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms28Rings1Aromatic Rings1Rotatable Bonds19
 van der Waals
Molecular Volume
450.63Topological Polar
Surface Area
20.23Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
1
 logP9.14Molar
Refractivity
125.11