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ScientificNameLabel
beta-Damascone
PHCD compound ID : 3923
Chemical Names :
beta-Damascone
Molecular Formula : C13H20O1
Molecular Weight : 192.151415
More Details :
Names & Synonyms: (E)-1-(2,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one , (E)-1-(2,6,6-trimethyl-1-cyclohexenyl)-2-buten-1-one
Smiles: C/C=C/C(=O)C1=C(C)CCCC1(C)C
InChi : InChI=1S/C13H20O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5,7H,6,8-9H2,1-4H3/b7-5+
InChi Key : InChIKey=BGTBFNDXYDYBEY-FNORWQNLSA-N
PubChem ID : 5374527
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.338136
Hydrogen bond donor count : 0 Electric dipole moment : 3.140
XLogP : 3.521 VDW volume : 221.928651
Molecular weight : 192.151415 HOMO-LUMO gap : 9.458000
Herb list :
Refrences & Litretures:
  
536.      Journal:'Journal of Analytical Methods in Chemistry'      Year:'2013'      Volume:''      Page:'246986'      DOI:'10.1155/2013/246986'      Title:'Comparative Analysis of the Volatile Components of Agrimonia eupatoria from Leaves and Roots by Gas Chromatography-Mass Spectrometry and Multivariate Curve Resolution'
635.      Journal:'Analytica Chimica Acta'      Year:'2006'      Volume:'566'      Page:'172'      DOI:'10.1016/j.aca.2006.03.014'      Title:'Comparison of direct thermal desorption with water distillation and superheated water extraction for the analysis of volatile components of Rosa damascena Mill. using GCxGC-TOF/MS'
639.      Journal:'LA RIVISTA ITALIANA DELLE SOSTANZE GRASSE'      Year:'2010'      Volume:'LXXXVII'      Page:'218'      DOI:''      Title:'Fatty acids and essential oil composition of borage (Borago officinalis L.) stalk leaves during their development'
640.      Journal:'Plant Biosystems'      Year:'2014'      Volume:'148'      Page:'444'      DOI:'10.1080/11263504.2013.778349'      Title:'Variation in anthocyanin and essential oil composition and their antioxidant potentialities during ?ower development of Borage (Borago of?cinalis L.)'
735.      Journal:'J. Mater. Environ. Sci'      Year:'2015'      Volume:'6'      Page:'784'      DOI:''      Title:'Chemical composition and antioxidant activity of the essential oil and the methanol extract of Algerian wild carrot Daucus carota L. ssp. carota. (L.) Thell'
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