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Dihydro methyl jasmonate
PHCD compound ID : 3644
Chemical Names :
Dihydro methyl jasmonate
Molecular Formula : C13H22O3
Molecular Weight : 226.156895
More Details :
Names & Synonyms: methyl 2-(3-oxo-2-pentyl-cyclopentyl)acetate , 2-(3-oxo-2-pentylcyclopentyl)acetic acid methyl ester , methyl 2-(3-oxo-2-pentylcyclopentyl)acetate , methyl 2-(3-oxidanylidene-2-pentyl-cyclopentyl)ethanoate , 2-(2-amyl-3-keto-cyclopentyl)acetic acid methyl ester
Smiles: CCCCC[C@H]1[C@@H](CCC1=O)CC(=O)OC
InChi : InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h10-11H,3-9H2,1-2H3/t10-,11-/m0/s1
InChi Key : InChIKey=KVWWIYGFBYDJQC-QWRGUYRKSA-N
PubChem ID : 102861
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.038475
Hydrogen bond donor count : 0 Electric dipole moment : 1.958
XLogP : 2.655 VDW volume : 242.145563
Molecular weight : 226.156895 HOMO-LUMO gap : 10.883000
Herb list :
Refrences & Litretures:
  
509.      Journal:'Asian Pac J Trop Biomed'      Year:'2015'      Volume:'5'      Page:'1033'      DOI:'10.1016/j.apjtb.2015.09.010'      Title:'Gas chromatography mass spectrometry analysis and in vitro antibacterial activity of essential oil from Trigonella foenum-graecum'
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