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ScientificNameLabel
10-Acetoxy-8,9-epoxythymolisobutyrate
PHCD compound ID : 3045
Chemical Names :
10-Acetoxy-8,9-epoxythymolisobutyrate
Molecular Formula : C16H20O5
Molecular Weight : 292.131074
More Details :
Names & Synonyms:
Smiles: CC(=O)OC[C@]1(CO1)c1ccc(cc1OC(=O)C(C)C)C
InChi : InChI=1S/C16H20O5/c1-10(2)15(18)21-14-7-11(3)5-6-13(14)16(9-20-16)8-19-12(4)17/h5-7,10H,8-9H2,1-4H3/t16-/m0/s1
InChi Key : InChIKey=JWLHEYGRDDWKPL-INIZCTEOSA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.362697
Hydrogen bond donor count : 0 Electric dipole moment : 1.873
XLogP : 1.349 VDW volume : 280.448135
Molecular weight : 292.131074 HOMO-LUMO gap : 9.389000
Herb list :
Refrences & Litretures:
  
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
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