Methyl linolelaidate

ScientificNameLabel

Methyl linolelaidate
PHCD compound ID :	2980
Chemical Names :	Methyl linolelaidate
Molecular Formula :	C19H34O2
Molecular Weight :	294.25588

More Details :

Names & Synonyms:	methyl (9E,12E)-octadeca-9,12-dienoate , (9E,12E)-octadeca-9,12-dienoic acid methyl ester
Smiles:	CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC
InChi :	InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3/b8-7+,11-10+
InChi Key :	InChIKey=WTTJVINHCBCLGX-ZDVGBALWSA-N
PubChem ID :	5362793

Rotatable bond count :	15	Rule of five :	2
Hydrogen bond acceptor count :	2	Ionization potential :	9.447023
Hydrogen bond donor count :	0	Electric dipole moment :	1.743
XLogP :	8.186	VDW volume :	346.851244
Molecular weight :	294.25588	HOMO-LUMO gap :	10.435000

Herb list :

Saffron, Crocus - Crocus sativus - زعفران

Refrences & Litretures:


377. Journal:'Pharmaceutical Biology' Year:'2011' Volume:'49' Page:'756' DOI:'10.3109/13880209.2010.547206' Title:'Chemical constituents and bioactivities of the liposoluble fraction from different medicinal parts of Crocus sativus'

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