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ScientificNameLabel
cis-Crysanthenyl acetate
PHCD compound ID : 1621
Chemical Names :
cis-Crysanthenyl acetate , (E)-chrysanthenyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) acetate , acetic acid (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) ester , (4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl) ethanoate
Smiles: CC(=O)O[C@H]1[C@H]2CC=C([C@@H]1C2(C)C)C
InChi : InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m1/s1
InChi Key : InChIKey=UASZOTVHPVEMQR-VWYCJHECSA-N
PubChem ID : 162747
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.080087
Hydrogen bond donor count : 0 Electric dipole moment : 2.011
XLogP : 2.621 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.277000
Herb list :
Refrences & Litretures:
  
182.      Journal:'Biochemical Systematics and Ecology'      Year:'2003'      Volume:'31'      Page:'1033'      DOI:'10.1016/S0305-1978(03)00066-8'      Title:'Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania'
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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