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ScientificNameLabel
Eremophyllene
PHCD compound ID : 5444
Chemical Names :
Eremophyllene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 2-isopropenyl-8,8a-dimethyl-2,3,4,4a,5,6-hexahydro-1H-naphthalene , 8,8a-dimethyl-2-(1-methylethenyl)-2,3,4,4a,5,6-hexahydro-1H-naphthalene , 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene , 8,8a-dimethyl-2-prop-1-en-2-yl-2,3,4,4a,5,6-hexahydro-1H-naphthalene
Smiles: CC(=C)[C@H]1CC[C@H]2[C@](C1)(C)C(=CCC2)C
InChi : InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m0/s1
InChi Key : InChIKey=ZZPSOALECBMAMW-KKUMJFAQSA-N
PubChem ID : 6428416
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.087007
Hydrogen bond donor count : 0 Electric dipole moment : 0.518
XLogP : 5.951 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.394000
Herb list :
Refrences & Litretures:
  
905.      Journal:'Natural Product Communications'      Year:'2008'      Volume:'3'      Page:'1121'      DOI:'10.1177/1934578X0800300716'      Title:'Essential Oil Composition of Eryngium campestre L. Growing in Different Soil Types. A Preliminary Study'
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