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ScientificNameLabel
Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate
PHCD compound ID : 3904
Chemical Names :
Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate , (Z)-11(13,14-Epoxy)tetradecen-1-ol acetate
Molecular Formula : C16H28O3
Molecular Weight : 268.203845
More Details :
Names & Synonyms: [(Z)-12-(oxiran-2-yl)dodec-11-enyl] acetate , acetic acid [(Z)-12-(2-oxiranyl)dodec-11-enyl] ester , [(Z)-12-(oxiran-2-yl)dodec-11-enyl] ethanoate , acetic acid [(Z)-12-(oxiran-2-yl)dodec-11-enyl] ester
Smiles: CC(=O)OCCCCCCCCCC/C=C\[C@H]1OC1
InChi : InChI=1S/C16H28O3/c1-15(17)18-13-11-9-7-5-3-2-4-6-8-10-12-16-14-19-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10-/t16-/m1/s1
InChi Key : InChIKey=SSNSHVODQWMOJI-UILAEWCASA-N
PubChem ID : 5363633
Rotatable bond count : 13 Rule of five : 2
Hydrogen bond acceptor count : 3 Ionization potential : 9.939612
Hydrogen bond donor count : 0 Electric dipole moment : 1.239
XLogP : 5.043 VDW volume : 294.033517
Molecular weight : 268.203845 HOMO-LUMO gap : 10.644000
Herb list :
Refrences & Litretures:
  
532.      Journal:'J PURE APPL MICROBIO'      Year:'2013'      Volume:'7'      Page:'379'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of Ziziphus jujuba Seeds Extract'
672.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'11173'      DOI:'10.3390/molecules170911173'      Title:'Chemical Composition of Hexane Extract of Citrus aurantifolia and Anti-Mycobacterium tuberculosis Activity of Some of Its Constituents'
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