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ScientificNameLabel
Caryophellene
PHCD compound ID : 2560
Chemical Names :
Caryophellene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4Z)-4,11,11-trimethyl-8-methylene-bicyclo[7.2.0]undec-4-ene , (1R,4Z)-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undec-4-ene , (1R,4Z)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene , (1R,4Z)-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-/m1/s1
InChi Key : InChIKey=NPNUFJAVOOONJE-FLFDDASRSA-N
PubChem ID : 101591657
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.152858
Hydrogen bond donor count : 0 Electric dipole moment : 1.072
XLogP : 6.044 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.516000
Herb list :
Refrences & Litretures:
  
297.      Journal:'J Food Sci Technol'      Year:'2015'      Volume:'52'      Page:'4450'      DOI:'10.1007/s13197-014-1353-3'      Title:'Optimization of supercritical fluid extraction of essential oils and fatty acids from flixweed (Descurainia Sophia L.) seed using response surface methodology and central composite design'
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