Skip Navigation Links
ScientificNameLabel
e-Cadinene
PHCD compound ID : 894
Chemical Names :
Beta-Cadinene , e-Cadinene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene , (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene
Smiles: CC1=CC[C@@H]2[C@@H](C1)[C@@H](CC=C2C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=USDOQCCMRDNVAH-KKUMJFAQSA-N
PubChem ID : 10657
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.061782
Hydrogen bond donor count : 0 Electric dipole moment : 0.484
XLogP : 5.901 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.484000
Herb list :
Refrences & Litretures:
  
73.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'3034'      DOI:'10.1002/jssc.200900214'      Title:'Static and dynamic superheated water extraction of essential oil components fromThymus vulgaris L'
78.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2012'      Volume:'2012'      Page:'1'      DOI:'10.1155/2012/728065'      Title:'Essential Oils Composition and Antioxidant Properties of Three Thymus Species'
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'
576.      Journal:'Food Chemistry'      Year:'2011'      Volume:'129'      Page:'1305'      DOI:'10.1016/j.foodchem.2011.05.083'      Title:'Identi?cation of ambiguous cubeb fruit by DART-MS-based ?ngerprinting combined with principal component analysis'
677.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2707'      DOI:'10.1002/jsfa.6089'      Title:'Chemical composition and bioactivity of different oregano (Origanum vulgare) extracts and essential oil'
706.      Journal:'Experimental Parasitology 115 (2007) 168–172'      Year:'2007'      Volume:'115'      Page:'168'      DOI:'10.1016/j.exppara.2006.07.005'      Title:'EYcacy of an essential oil of Eugenia caryophyllata against Psoroptes cuniculi'
900.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'42'      DOI:'10.1080/10412905.2004.9698648'      Title:'Chemical Composition of the Essential Oil of Eryngium billardieri F. Delaroche from Iran'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us