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ScientificNameLabel
Beta-Isocomene
PHCD compound ID : 995
Chemical Names :
Beta-Isocomene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C=C1C[C@]2([C@@]3([C@@]1(C)CC[C@H]3C)CCC2)C
InChi : InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h11H,2,5-10H2,1,3-4H3/t11-,13+,14+,15-/m1/s1
InChi Key : InChIKey=KPKLYXVMHOVJJL-UQOMUDLDSA-N
PubChem ID : 90658163
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.555862
Hydrogen bond donor count : 0 Electric dipole moment : 0.924
XLogP : 6.546 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.926000
Herb list :
Refrences & Litretures:
  
98.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'800'      DOI:''      Title:'ESSENTIAL OIL COMPOSITION OF Tripleurospermum disciforme FROM IRAN'
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'
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
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