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ScientificNameLabel
Guaia-6,9-diene
PHCD compound ID : 1535
Chemical Names :
Guaia-6,9-diene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,3aR,8aR)-7-isopropyl-1,4-dimethyl-1,2,3,3a,6,8a-hexahydroazulene , (1S,3aR,8aR)-1,4-dimethyl-7-propan-2-yl-1,2,3,3a,6,8a-hexahydroazulene
Smiles: CC(C1=C[C@H]2[C@@H](C)CC[C@H]2C(=CC1)C)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5,9-10,12,14-15H,6-8H2,1-4H3/t12-,14-,15-/m0/s1
InChi Key : InChIKey=RCMUGHFHXFHKNW-QEJZJMRPSA-N
PubChem ID : 14190790
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.015114
Hydrogen bond donor count : 0 Electric dipole moment : 0.366
XLogP : 5.977 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.332000
Herb list :
Refrences & Litretures:
  
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'
879.      Journal:'Journal of Essential Oil Research'      Year:'2013'      Volume:'25'      Page:'372'      DOI:'10.1080/10412905.2013.782476'      Title:'Essential oil composition of Pelargonium graveolens L’Her ex Ait. cultivars harvested in different seasons'
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