Skip Navigation Links
ScientificNameLabel
trans-Chrysanthenylacetate
PHCD compound ID : 335
Chemical Names :
trans-Chrysanthenyl acetate , trans-Chrysanthenylacetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1R,5S,7R)-4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl] acetate , acetic acid [(1R,5S,7R)-4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl] ester , [(1R,5S,7R)-4,6,6-trimethyl-7-bicyclo[3.1.1]hept-3-enyl] ethanoate
Smiles: CC(=O)O[C@@H]1[C@@H]2CC=C([C@H]1C2(C)C)C
InChi : InChI=1S/C12H18O2/c1-7-5-6-9-11(14-8(2)13)10(7)12(9,3)4/h5,9-11H,6H2,1-4H3/t9-,10+,11+/m0/s1
InChi Key : InChIKey=UASZOTVHPVEMQR-HBNTYKKESA-N
PubChem ID : 10899521
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.079708
Hydrogen bond donor count : 0 Electric dipole moment : 2.009
XLogP : 2.621 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.278000
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'
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
53.      Journal:'Industrial Crops and Products'      Year:'2010'      Volume:'31'      Page:'449'      DOI:'10.1016/j.indcrop.2010.01.003'      Title:'The insecticidal activity of Tanacetum parthenium (L.) Schultz Bip. extracts obtained by supercritical ?uid extraction and hydrodistillation'
496.      Journal:'Flavour Fragr. J'      Year:'2001'      Volume:'16'      Page:'195'      DOI:'10.1002/ffj.977'      Title:'Composition of the essential oils of Tanacetum armenum (DC.) Schultz Bip., T. balsamita L., T. chiliophyllum (Fisch. & Mey.) Schultz Bip. var. chiliophyllum and T. haradjani (Rech. ?l.) Grierson and the enantiomeric distribution of camphor and carvone'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us