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3,7-Guaidiene
PHCD compound ID : 1226
Chemical Names :
3,7-Guaidiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: 5-isopropyl-3,8-dimethyl-1,3a,4,7,8,8a-hexahydroazulene , 3,8-dimethyl-5-propan-2-yl-1,3a,4,7,8,8a-hexahydroazulene
Smiles: CC1=CC[C@@H]2[C@H]1CC(=CC[C@H]2C)C(C)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h6-7,10-11,14-15H,5,8-9H2,1-4H3/t11-,14+,15+/m1/s1
InChi Key : InChIKey=YOIKPWLIIDGZLM-UGFHNGPFSA-N
PubChem ID : 91747903
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.025951
Hydrogen bond donor count : 0 Electric dipole moment : 0.426
XLogP : 5.792 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.327000
Herb list :
Refrences & Litretures:
  
126.      Journal:'Chemistry of Natural Compounds'      Year:'2005'      Volume:'41'      Page:'311'      DOI:''      Title:'Ferula gummosa FRUITS: AN AROMATIC ANTIMICROBIAL AGENT'
865.      Journal:'J. Agric. Food Chem'      Year:'2005'      Volume:'53'      Page:'2630'      DOI:'10.1021/jf048244g'      Title:'Chemical Composition of Juniperus communis L. Fruits Supercritical CO2 Extracts: Dependence on Pressure and Extraction Time'
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