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ScientificNameLabel
(-)Bornyl acetate
PHCD compound ID : 901
Chemical Names :
endo-Bornyl acetate , Endobornyl acetate , Endo-bornylacetate , (-)-bornyl acetate , (-)Bornyl acetate , Endobornil acetate
Molecular Formula : C12H20O2
Molecular Weight : 196.14633
More Details :
Names & Synonyms: [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] acetate , acetic acid [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] acetate , [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ethanoate , acetic acid [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] ester
Smiles: CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
InChi : InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1
InChi Key : InChIKey=KGEKLUUHTZCSIP-HOSYDEDBSA-N
PubChem ID : 93009
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.283816
Hydrogen bond donor count : 0 Electric dipole moment : 2.198
XLogP : 3.474 VDW volume : 206.339352
Molecular weight : 196.14633 HOMO-LUMO gap : 11.530000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
142.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2013'      Volume:'12'      Page:'367'      DOI:''      Title:'Effect of Laurus nobilis L. Essential Oil and its Main Components on ?-glucosidase and Reactive Oxygen Species Scavenging Activity'
143.      Journal:'Journal of Stored Products Research'      Year:'2012'      Volume:'48'      Page:'97'      DOI:'10.1016/j.jspr.2011.10.003'      Title:'Insecticidal activities of essential oils from leaves of Laurus nobilis L. from Tunisia, Algeria and Morocco, and comparative chemical composition'
155.      Journal:'EJEAFChe'      Year:'2012'      Volume:'11'      Page:'493'      DOI:''      Title:'CHEMICAL COMPOSITION OF ESSENTIAL OIL OF ARTEMISIA VULGARIS FROM WEST AZERBAIJAN, IRAN'
223.      Journal:'J. Med. Plants Res'      Year:'2013'      Volume:'7'      Page:'3003'      DOI:'10.5897/JMPR12.1270'      Title:'Chemical composition of the essential oil of Mentha pulegium L. from Taftan Area by means of gas chromatography/mass spectrometry (GC/MS)'
380.      Journal:'Food and Chemical Toxicology'      Year:'2008'      Volume:'46'      Page:'3295'      DOI:'10.1016/j.fct.2008.07.017'      Title:'Chemistry, antioxidant and antimicrobial investigations on essential oil and oleoresins of Zingiber officinale'
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
691.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'89'      DOI:'10.1080/0972060X.2011.10643905'      Title:'Chemical Composition of Salvia officinalis Essential oil of Libya'
692.      Journal:'Rev. Bras. Pl. Med'      Year:'2013'      Volume:'15'      Page:'438'      DOI:''      Title:'Chemical composition of sage (Salvia offcinalis L.) essential oil from the Rio de Janeiro State (Brazil)'
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