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ScientificNameLabel
Alpha–Bisabolene
PHCD compound ID : 2559
Chemical Names :
Alpha–Bisabolene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 4-(1,5-dimethylhexa-1,4-dienyl)-1-methyl-cyclohexene , 1-methyl-4-(6-methylhepta-2,5-dien-2-yl)cyclohexene
Smiles: CC(=CC/C=C(/[C@H]1CCC(=CC1)C)\C)C
InChi : InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6-8,15H,5,9-11H2,1-4H3/b14-7+/t15-/m1/s1
InChi Key : InChIKey=YHBUQBJHSRGZNF-KEQVLUGWSA-N
PubChem ID : 86597
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.079509
Hydrogen bond donor count : 0 Electric dipole moment : 1.180
XLogP : 5.695 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.330000
Herb list :
Refrences & Litretures:
  
297.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'4450'      DOI:'10.1007/s13197-014-1353-3'      Title:'Optimization of supercritical fluid extraction of essential oils and fatty acids from flixweed (Descurainia Sophia L.) seed using response surface methodology and central composite design'
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