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ScientificNameLabel
Beta-Bisabolenol
PHCD compound ID : 2150
Chemical Names :
Beta-Bisabolenol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: [(4S)-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexen-1-yl]methanol , [(4S)-4-(6-methylhepta-1,5-dien-2-yl)-1-cyclohexenyl]methanol , [(4S)-4-(6-methylhepta-1,5-dien-2-yl)cyclohexen-1-yl]methanol
Smiles: OCC1=CC[C@H](CC1)C(=C)CCC=C(C)C
InChi : InChI=1S/C15H24O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,15-16H,3-4,6,8-11H2,1-2H3/t15-/m1/s1
InChi Key : InChIKey=AWXTUFPUJSQYGO-OAHLLOKOSA-N
PubChem ID : 91747530
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.276133
Hydrogen bond donor count : 1 Electric dipole moment : 2.370
XLogP : 3.67 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.228000
Herb list :
Refrences & Litretures:
  
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
395.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2009'      Volume:'12'      Page:'111'      DOI:'10.1080/0972060X.2009.10643700'      Title:'Chemical Composition and Antimicrobial Activity of Essential Oil of Hyssopus angustifolius M.B'
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