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ScientificNameLabel
Margaric acid,methyl ester
PHCD compound ID : 2571
Chemical Names :
Heptadecanoic acid, methyl ester(Heptadecanoic acid) , Margaric acid,methyl ester
Molecular Formula : C18H36O2
Molecular Weight : 284.27153
More Details :
Names & Synonyms: methyl heptadecanoate , heptadecanoic acid methyl ester
Smiles: CCCCCCCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChi Key : InChIKey=HUEBIMLTDXKIPR-UHFFFAOYSA-N
PubChem ID : 15609
Rotatable bond count : 16 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.709764
Hydrogen bond donor count : 0 Electric dipole moment : 1.759
XLogP : 8.46 VDW volume : 334.828177
Molecular weight : 284.27153 HOMO-LUMO gap : 11.840000
Herb list :
Refrences & Litretures:
  
299.      Journal:'J. Med. Plants Res'      Year:'2011'      Volume:'5'      Page:'6972'      DOI:''      Title:'Chemical composition and antimicrobial activity of the flower and root hexane extracts of Althaea officinalis in Northwest Iran'
546.      Journal:'Food Chemistry'      Year:'2007'      Volume:'102'      Page:'1096'      DOI:'10.1016/j.foodchem.2006.06.047'      Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
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