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6,9-Guaiadiene
PHCD compound ID : 2457
Chemical Names :
6,9-Guaiadiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 7-isopropyl-1,4-dimethyl-1,2,3,4,5,8-hexahydroazulene , 1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,8-hexahydroazulene
Smiles: CC(C1=CC[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/h7,10-12H,5-6,8-9H2,1-4H3/t11-,12-/m1/s1
InChi Key : InChIKey=IFJYSOWCCJPUJS-VXGBXAGGSA-N
PubChem ID : 527113
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.766972
Hydrogen bond donor count : 0 Electric dipole moment : 0.498
XLogP : 5.321 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.132000
Herb list :
Refrences & Litretures:
  
281.      Journal:'J. Bio. Env. Sci'      Year:'2016'      Volume:'8'      Page:'240'      DOI:''      Title:'Essential oil variation within and between Stachys inflata Benth. and Stachys lavandulifolia Vahl. populations from Iran'
284.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2015'      Volume:'7'      Page:'673'      DOI:''      Title:'Chemical Composition of Essential Oil of Stachys lavandulifolia Vahl. From Iran'
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
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