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ScientificNameLabel
Palmitic acid,14-methyl-,methyl ester
PHCD compound ID : 3987
Chemical Names :
Palmitic acid,14-methyl-,methyl ester
Molecular Formula : C18H36O2
Molecular Weight : 284.27153
More Details :
Names & Synonyms: methyl 14-methylhexadecanoate , 14-methylhexadecanoic acid methyl ester , 14-methylpalmitic acid methyl ester
Smiles: CC[C@H](CCCCCCCCCCCCC(=O)OC)C
InChi : InChI=1S/C18H36O2/c1-4-17(2)15-13-11-9-7-5-6-8-10-12-14-16-18(19)20-3/h17H,4-16H2,1-3H3/t17-/m1/s1
InChi Key : InChIKey=AOAFVSVYRSUDBN-QGZVFWFLSA-N
PubChem ID : 520159
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.716565
Hydrogen bond donor count : 0 Electric dipole moment : 1.784
XLogP : 8.399 VDW volume : 334.828177
Molecular weight : 284.27153 HOMO-LUMO gap : 11.844000
Herb list :
Refrences & Litretures:
  
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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