11,14-Eicosadienoic acid,methyl ester

ScientificNameLabel

11,14-Eicosadienoic acid,methyl ester
PHCD compound ID :	4582
Chemical Names :	11,14-Eicosadienoic acid,methyl ester
Molecular Formula :	C21H38O2
Molecular Weight :	322.28718

More Details :

Names & Synonyms:	methyl (11E,14E)-icosa-11,14-dienoate , (11E,14E)-eicosa-11,14-dienoic acid methyl ester
Smiles:	CCCCC/C=C/C/C=C/CCCCCCCCCC(=O)OC
InChi :	InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7+,11-10+
InChi Key :	InChIKey=GWJCFAOQCNNFAM-ZDVGBALWSA-N
PubChem ID :	5365566

Rotatable bond count :	17	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	9.530087
Hydrogen bond donor count :	0	Electric dipole moment :	1.738
XLogP :	9.324	VDW volume :	381.443213
Molecular weight :	322.28718	HOMO-LUMO gap :	10.604000

Herb list :

Wild garlic - Allium hirtifolium - موسیر

Refrences & Litretures:


703. Journal:'BioMed Research International' Year:'2013' Volume:'2013' Page:'1' DOI:'10.1155/2013/696835' Title:'Chemical Composition and Antibacterial and Cytotoxic Activities of Allium hirtifolium Boiss'

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