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ScientificNameLabel
epi-beta-bisabolol
PHCD compound ID : 4093
Chemical Names :
epi-beta-bisabolol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (1S)-1-(1,5-dimethylhex-4-enyl)-4-methyl-cyclohex-3-en-1-ol , (1S)-4-methyl-1-(6-methylhept-5-en-2-yl)-1-cyclohex-3-enol , (1S)-4-methyl-1-(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-/m1/s1
InChi Key : InChIKey=WTVHAMTYZJGJLJ-HUUCEWRRSA-N
PubChem ID : 12300145
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.159764
Hydrogen bond donor count : 1 Electric dipole moment : 1.779
XLogP : 3.874 VDW volume : 259.157079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.406000
Herb list :
Refrences & Litretures:
  
563.      Journal:'??????'      Year:'2009'      Volume:'31'      Page:'77'      DOI:''      Title:'Essential Oil Compositions and Bioactivities of the Various Pa r t s of Cinnamomum camphora Sieb. var. linaloolifera Fujuta'
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
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