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ScientificNameLabel
Caryophyllene,9-epi-
PHCD compound ID : 1476
Chemical Names :
9-epi-(E)-Caryophyllene , Caryophyllene,9-epi-
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4E,9R)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene , (1R,4E,9R)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene , (1R,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene , (1R,4E,9R)-4,11,11-trimethyl-8-methylidene-bicyclo[7.2.0]undec-4-ene
Smiles: CC1=CCCC(=C)[C@H]2[C@@H](CC1)C(C2)(C)C
InChi : InChI=1S/C15H24/c1-11-6-5-7-12(2)13-10-15(3,4)14(13)9-8-11/h6,13-14H,2,5,7-10H2,1,3-4H3/b11-6+/t13-,14+/m0/s1
InChi Key : InChIKey=NPNUFJAVOOONJE-QWAJQTJBSA-N
PubChem ID : 6429274
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.954009
Hydrogen bond donor count : 0 Electric dipole moment : 0.544
XLogP : 6.044 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.264000
Herb list :
Refrences & Litretures:
  
158.      Journal:'JOURNAL OF BIOSCIENCE AND BIOENGINEERING'      Year:'2008'      Volume:'105'      Page:'176'      DOI:'10.1263/jbb.105.176'      Title:'Mass Propagation and Essential Oil Analysis of Artemisia vulgaris'
166.      Journal:'Flora'      Year:'2011'      Volume:'206'      Page:'397'      DOI:'10.1016/j.?ora.2010.08.002'      Title:'Inter-population variability of leaf morpho-anatomical and terpenoid patterns of Pistacia atlantica Desf. ssp. atlantica growing along an aridity gradient in Algeria'
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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