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ScientificNameLabel
Beta-Sinensal
PHCD compound ID : 2885
Chemical Names :
Beta-Sinensal
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (2E,6E)-2,6-dimethyl-10-methylene-dodeca-2,6,11-trienal , (2E,6E)-2,6-dimethyl-10-methylenedodeca-2,6,11-trienal , (2E,6E)-2,6-dimethyl-10-methylidenedodeca-2,6,11-trienal , (2E,6E)-2,6-dimethyl-10-methylidene-dodeca-2,6,11-trienal
Smiles: C=CC(=C)CC/C=C(/CC/C=C(/C=O)\C)\C
InChi : InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+
InChi Key : InChIKey=NOPLRNXKHZRXHT-YFVJMOTDSA-N
PubChem ID : 5281535
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.298823
Hydrogen bond donor count : 0 Electric dipole moment : 3.779
XLogP : 4.618 VDW volume : 263.604161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.157000
Herb list :
Refrences & Litretures:
  
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
812.      Journal:'Journal of Food Composition and Analysis'      Year:'2005'      Volume:'18'      Page:'439'      DOI:'10.1016/j.jfca.2004.01.003'      Title:'Supercritical ?uid extraction of volatile components from Bunium persicum Boiss. (black cumin) and Mespilus germanica L. (medlar) seeds'
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