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ScientificNameLabel
Gamma-Guaiene
PHCD compound ID : 495
Chemical Names :
Gamma-Guaiene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,4R)-7-isopropyl-1,4-dimethyl-1,2,3,4,5,6-hexahydroazulene , (1R,4R)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
Smiles: CC(C1=CC2=C([C@@H](CC1)C)CC[C@H]2C)C
InChi : InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h9-12H,5-8H2,1-4H3/t11-,12-/m1/s1
InChi Key : InChIKey=YLPOFTFBOIPYLE-VXGBXAGGSA-N
PubChem ID : 15560256
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.287033
Hydrogen bond donor count : 0 Electric dipole moment : 0.647
XLogP : 5.534 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 8.976000
Herb list :
Refrences & Litretures:
  
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
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