Structure database (LMSD)

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LM IDLMPK15020003
Common Name3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)catechol
Systematic Name3-((8Z,11Z)-pentadeca-8,11-dien-1-yl)benzene-1,2-diol
Synonyms-
Exact Mass
316.2402 (neutral)    Calculate m/z:
FormulaC21H32O2
CategoryPolyketides [PK]
Main ClassPhenolic lipids [PK15]
Sub ClassAlkyl catechols and derivatives [PK1502]
PubChem CID12444628
InChIKeyRMTXUPIIESNLPW-UTOQUPLUSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h4-5
,7-8,15,17-18,22-23H,2-3,6,9-14,16H2,1H3/b5-4-,8-7-
SMILESC1C=C(CCCCCCC/C=C\C/C=C\CCC)C(O)=C(O)C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings1Aromatic Rings1Rotatable Bonds12
 van der Waals
Molecular Volume
352.98Topological Polar
Surface Area
40.46Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
2
 logP6.28Molar
Refractivity
98.98