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ScientificNameLabel
b-bisabolol
PHCD compound ID : 2901
Chemical Names :
b-bisabolol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S)-1-[(1S)-1,5-dimethylhex-4-enyl]-4-methyl-cyclohex-3-en-1-ol , (1S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]-1-cyclohex-3-enol , (1S)-4-methyl-1-[(2S)-6-methylhept-5-en-2-yl]cyclohex-3-en-1-ol
Smiles: CC(=CCC[C@@H]([C@]1(O)CCC(=CC1)C)C)C
InChi : InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15+/m0/s1
InChi Key : InChIKey=WTVHAMTYZJGJLJ-LSDHHAIUSA-N
PubChem ID : 12300146
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.192602
Hydrogen bond donor count : 1 Electric dipole moment : 1.944
XLogP : 3.874 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.436000
Herb list :
Refrences & Litretures:
  
370.      Journal:'Asian Paicfic Journal of Tropical Biomedicine'      Year:'2012'      Volume:'2'      Page:'s695'      DOI:'10.1016/S2221-1691(12)60298-6'      Title:'Chemical composition and in vitro antioxidative potential of essential oil isolated from Curcuma longa L. leaves'
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