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ScientificNameLabel
Nuciferol acetate
PHCD compound ID : 356
Chemical Names :
Nuciferol acetate
Molecular Formula : C17H24O2
Molecular Weight : 260.17763
More Details :
Names & Synonyms: [(E)-2-methyl-6-(p-tolyl)hept-2-enyl] acetate , acetic acid [(E)-2-methyl-6-(4-methylphenyl)hept-2-enyl] ester , [(E)-2-methyl-6-(4-methylphenyl)hept-2-enyl] acetate , [(E)-2-methyl-6-(4-methylphenyl)hept-2-enyl] ethanoate , acetic acid [(E)-2-methyl-6-(p-tolyl)hept-2-enyl] ester
Smiles: CC(=O)OC/C(=C/CC[C@H](c1ccc(cc1)C)C)/C
InChi : InChI=1S/C17H24O2/c1-13-8-10-17(11-9-13)15(3)7-5-6-14(2)12-19-16(4)18/h6,8-11,15H,5,7,12H2,1-4H3/b14-6+/t15-/m1/s1
InChi Key : InChIKey=MGCGLWILILAXQZ-SXSSENBOSA-N
PubChem ID : 91710637
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.126070
Hydrogen bond donor count : 0 Electric dipole moment : 2.501
XLogP : 4.62 VDW volume : 283.729899
Molecular weight : 260.17763 HOMO-LUMO gap : 9.483000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
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