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ScientificNameLabel
Z-methyl epijasmonate
PHCD compound ID : 1501
Chemical Names :
Z-methyl epijasmonate
Molecular Formula : C13H20O3
Molecular Weight : 224.141245
More Details :
Names & Synonyms: methyl 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate , 2-[(1R,2S)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester , methyl 2-[(1R,2S)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate , 2-[(1R,2S)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester
Smiles: CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)OC
InChi : InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11+/m1/s1
InChi Key : InChIKey=GEWDNTWNSAZUDX-KWKBKKAHSA-N
PubChem ID : 6427970
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.619549
Hydrogen bond donor count : 0 Electric dipole moment : 4.142
XLogP : 2.139 VDW volume : 239.509104
Molecular weight : 224.141245 HOMO-LUMO gap : 10.512000
Herb list :
Refrences & Litretures:
  
161.      Journal:'Archives of Applied Science Research'      Year:'2011'      Volume:'3'      Page:'44'      DOI:''      Title:'Biocontrol of Botrytis cinerea with essential oil and methanol extract of Viola odorata L. flowers'
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