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ScientificNameLabel
Beta-Bisabolenal
PHCD compound ID : 2149
Chemical Names :
Beta-Bisabolenal
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (4S)-4-(5-methyl-1-methylene-hex-4-enyl)cyclohexene-1-carbaldehyde , (4S)-4-(6-methylhepta-1,5-dien-2-yl)-1-cyclohexenecarboxaldehyde , (4S)-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene-1-carbaldehyde
Smiles: O=CC1=CC[C@H](CC1)C(=C)CCC=C(C)C
InChi : InChI=1S/C15H22O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,11,15H,3-4,6,8-10H2,1-2H3/t15-/m1/s1
InChi Key : InChIKey=JZLKKMAUZMMUMS-OAHLLOKOSA-N
PubChem ID : 91999216
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.347011
Hydrogen bond donor count : 0 Electric dipole moment : 4.000
XLogP : 4.177 VDW volume : 253.884161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.160000
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'
972.      Journal:'Journal of Medicinal Plants Research'      Year:'2011'      Volume:'5'      Page:'6770'      DOI:'10.5897/JMPR11.1098'      Title:'Antibacterial and antimutagenic activity of extracts aboveground parts of three Solidago species: Solidago virgaurea L., Solidago canadensis L. and Solidago gigantea Ait'
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