Skip Navigation Links
ScientificNameLabel
E-beta-Guaiene
PHCD compound ID : 1500
Chemical Names :
E-beta-Guaiene , (E)-beta-Guaiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4R,7R)-7-isopropenyl-1,4-dimethyl-1,2,3,4,5,6,7,8-octahydroazulene , (1R,4R,7R)-1,4-dimethyl-7-(1-methylethenyl)-1,2,3,4,5,6,7,8-octahydroazulene , (1R,4R,7R)-1,4-dimethyl-7-prop-1-en-2-yl-1,2,3,4,5,6,7,8-octahydroazulene
Smiles: CC(=C)[C@@H]1CC[C@H](C2=C(C1)[C@H](C)CC2)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-/m1/s1
InChi Key : InChIKey=ADIDQIZBYUABQK-JHJVBQTASA-N
PubChem ID : 6429357
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.687185
Hydrogen bond donor count : 0 Electric dipole moment : 0.804
XLogP : 5.387 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.013000
Herb list :
Refrences & Litretures:
  
161.      Journal:'Archives of Applied Science Research'      Year:'2011'      Volume:'3'      Page:'44'      DOI:''      Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
692.      Journal:'Rev. Bras. Pl. Med'      Year:'2013'      Volume:'15'      Page:'438'      DOI:''      Title:'Chemical composition of sage (Salvia offcinalis L.) essential oil from the Rio de Janeiro State (Brazil)'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us