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Isobornyl isovalerate
PHCD compound ID : 752
Chemical Names :
Isobornyl isovalerate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (1,7,7-trimethylnorbornan-2-yl) 3-methylbutanoate , 3-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 3-methylbutanoate , 3-methylbutyric acid 2-bornyl ester
Smiles: CC(CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)C
InChi : InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1
InChi Key : InChIKey=MPYYVGIJHREDBO-YWPYICTPSA-N
PubChem ID : 60968
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.246105
Hydrogen bond donor count : 0 Electric dipole moment : 2.225
XLogP : 4.804 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 11.562000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
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