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ScientificNameLabel
Sesquirosefuran
PHCD compound ID : 1020
Chemical Names :
Sesquirosefuran , Sesquirosefurane
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-furan , 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methylfuran
Smiles: C/C(=C\Cc1occc1C)/CCC=C(C)C
InChi : InChI=1S/C15H22O/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-16-15/h6,8,10-11H,5,7,9H2,1-4H3/b13-8+
InChi Key : InChIKey=CKUQXDUZAWSPOV-MDWZMJQESA-N
PubChem ID : 5366078
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.757105
Hydrogen bond donor count : 0 Electric dipole moment : 0.218
XLogP : 4.179 VDW volume : 242.984161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.479000
Herb list :
Refrences & Litretures:
  
104.      Journal:'Journal of Chromatography A'      Year:'2009'      Volume:'1216'      Page:'2768'      DOI:'10.1016/j.chroma.2008.09.109'      Title:'Fast gas chromatography characterisation of puri?ed semiochemicals from essential oils of Matricaria chamomilla L. (Asteraceae) and Nepeta cataria L. (Lamiaceae)'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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