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ScientificNameLabel
Guaiene
PHCD compound ID : 5077
Chemical Names :
Guaiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 7-isopropylidene-1,4-dimethyl-2,3,4,5,6,8-hexahydro-1H-azulene , 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene , 1,4-dimethyl-7-propan-2-ylidene-2,3,4,5,6,8-hexahydro-1H-azulene
Smiles: CC(=C1CC[C@H](C2=C(C1)[C@@H](C)CC2)C)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h11-12H,5-9H2,1-4H3/t11-,12+/m1/s1
InChi Key : InChIKey=GIBQERSGRNPMEH-NEPJUHHUSA-N
PubChem ID : 6949
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.612131
Hydrogen bond donor count : 0 Electric dipole moment : 0.107
XLogP : 4.984 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.087000
Herb list :
Refrences & Litretures:
  
791.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'4264'      DOI:''      Title:'Chemical composition and antioxidant properties of the essential oil and methanol extracts of rhizoma Alpinia officinarum from China in vitro'
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