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ScientificNameLabel
isogermacrene A
PHCD compound ID : 471
Chemical Names :
isogermacrene A
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1Z,5Z,7S)-7-isopropenyl-1,5-dimethyl-cyclodeca-1,5-diene , (1Z,5Z,7S)-1,5-dimethyl-7-(1-methylethenyl)cyclodeca-1,5-diene , (1Z,5Z,7S)-1,5-dimethyl-7-prop-1-en-2-ylcyclodeca-1,5-diene , (1Z,5Z,7S)-1,5-dimethyl-7-prop-1-en-2-yl-cyclodeca-1,5-diene
Smiles: CC1=C[C@H](CCCC(=CCC1)C)C(=C)C
InChi : InChI=1S/C15H24/c1-12(2)15-10-6-8-13(3)7-5-9-14(4)11-15/h7,11,15H,1,5-6,8-10H2,2-4H3/b13-7-,14-11-/t15-/m0/s1
InChi Key : InChIKey=YSOYXLPARMWZFY-CXWCYCAGSA-N
PubChem ID : 101349813
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.879895
Hydrogen bond donor count : 0 Electric dipole moment : 0.765
XLogP : 5.661 VDW volume : 247.730393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.115000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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