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ScientificNameLabel
Elemodiol <8-alpha-11>
PHCD compound ID : 1930
Chemical Names :
Elemodiol <8-alpha-11>
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: (1R,4R,5S)-2-(1-hydroxy-1-methyl-ethyl)-4-isopropenyl-5-vinyl-cyclohexanol , (1R,4R,5S)-5-ethenyl-2-(2-hydroxypropan-2-yl)-4-(1-methylethenyl)-1-cyclohexanol , (1R,4R,5S)-5-ethenyl-2-(2-hydroxypropan-2-yl)-4-prop-1-en-2-ylcyclohexan-1-ol , (1R,4R,5S)-5-ethenyl-2-(2-oxidanylpropan-2-yl)-4-prop-1-en-2-yl-cyclohexan-1-ol
Smiles: C=C[C@@H]1C[C@@H](O)[C@@H](C[C@H]1C(=C)C)C(O)(C)C
InChi : InChI=1S/C14H24O2/c1-6-10-7-13(15)12(14(4,5)16)8-11(10)9(2)3/h6,10-13,15-16H,1-2,7-8H2,3-5H3/t10-,11+,12-,13-/m1/s1
InChi Key : InChIKey=QKVCTWTVHSDDGI-YVECIDJPSA-N
PubChem ID : 91746673
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.592252
Hydrogen bond donor count : 2 Electric dipole moment : 3.321
XLogP : 3.276 VDW volume : 250.651321
Molecular weight : 224.17763 HOMO-LUMO gap : 10.831000
Herb list :
Refrences & Litretures:
  
228.      Journal:'Food Research International'      Year:'2012'      Volume:'45'      Page:'313'      DOI:'10.1016/j.foodres.2011.09.004'      Title:'Evaluation of the chemical composition and antimicrobial activity of Mentha pulegium, Juniperus phoenicea, and Cyperus longus essential oils from Morocco'
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