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ScientificNameLabel
Z-alpha-Trans-Bergamotol
PHCD compound ID : 5083
Chemical Names :
Z-alpha-Trans-Bergamotol , (Z)-alpha-trans-Bergamotol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methyl-pent-2-en-1-ol , (Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methyl-2-penten-1-ol , (Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-en-1-ol , (Z)-5-(2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl)-2-methylpent-2-en-1-ol
Smiles: OC/C(=C\CC[C@@]1(C)[C@H]2CC=C([C@@H]1C2)C)/C
InChi : InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-/t13-,14-,15-/m0/s1
InChi Key : InChIKey=JGINTSAQGRHGMG-XDLSPAJHSA-N
PubChem ID : 5368743
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.175644
Hydrogen bond donor count : 1 Electric dipole moment : 1.660
XLogP : 4.223 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.252000
Herb list :
Refrences & Litretures:
  
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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