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ScientificNameLabel
citronellyl-isobutyrate
PHCD compound ID : 530
Chemical Names :
citronellyl-isobutyrate , Citronellol isobutanoate
Molecular Formula : C14H26O2
Molecular Weight : 226.19328
More Details :
Names & Synonyms: 3,7-dimethyloct-6-enyl 2-methylpropanoate , 2-methylpropanoic acid 3,7-dimethyloct-6-enyl ester , 2-methylpropionic acid 3,7-dimethyloct-6-enyl ester
Smiles: C[C@H](CCC=C(C)C)CCOC(=O)C(C)C
InChi : InChI=1S/C14H26O2/c1-11(2)7-6-8-13(5)9-10-16-14(15)12(3)4/h7,12-13H,6,8-10H2,1-5H3/t13-/m1/s1
InChi Key : InChIKey=ZGPPERKMXSGYRK-CYBMUJFWSA-N
PubChem ID : 60985
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.141206
Hydrogen bond donor count : 0 Electric dipole moment : 1.587
XLogP : 4.572 VDW volume : 263.007779
Molecular weight : 226.19328 HOMO-LUMO gap : 10.487000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
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