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ScientificNameLabel
trans-Sabinyl acetate
PHCD compound ID : 337
Chemical Names :
trans-Sabinyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: [(1R,3S)-1-isopropyl-4-methylene-3-bicyclo[3.1.0]hexanyl] acetate , acetic acid [(1R,3S)-4-methylene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] ester , [(1R,3S)-4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] acetate , [(1R,3S)-4-methylidene-1-propan-2-yl-3-bicyclo[3.1.0]hexanyl] ethanoate , acetic acid [(1R,3S)-1-isopropyl-4-methylene-3-bicyclo[3.1.0]hexanyl] ester
Smiles: CC(=O)O[C@H]1C[C@@]2([C@H](C1=C)C2)C(C)C
InChi : InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10-,11-,12+/m0/s1
InChi Key : InChIKey=PBWRFXQNNGSAQG-SDDRHHMPSA-N
PubChem ID : 6430313
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.771414
Hydrogen bond donor count : 0 Electric dipole moment : 2.176
XLogP : 2.932 VDW volume : 203.702893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.434000
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'
137.      Journal:'Flavour Fragr. J'      Year:'2003'      Volume:'18'      Page:'237'      DOI:'10.1002/ffj.1215'      Title:'Compositional analysis of the essential oil of Lallemantia royleana (Benth. in Wall.) Benth. from Iran'
138.      Journal:'Journal of Food Safety'      Year:'2014'      Volume:''      Page:'1'      DOI:'10.1111/jfs.12139'      Title:'CHEMICAL COMPOSITION, ANTIFUNGAL AND ANTIBACTERIAL ACTIVITIES OF ESSENTIAL OIL FROM LALLEMANTIA ROYLEANA (BENTH. IN WALL.) BENTH'
190.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'413'      DOI:''      Title:'Volatile Oils of Flowers and Stems of Tussilago farfara L. from Lithuania'
255.      Journal:'chemija'      Year:'2009'      Volume:'20'      Page:'190'      DOI:''      Title:'Analysis of the chemical composition of fower essential oils from Arnica montana of Lithuanian origin'
596.      Journal:'J. Essent. Oil Res'      Year:'2008'      Volume:'20'      Page:'318'      DOI:'10.1080/10412905.2008.9700022'      Title:'Composition of the Essential Oil of Levisticum Offcinale W.D.J. Koch from Some European Countries'
675.      Journal:'Food Control'      Year:'2004'      Volume:'15'      Page:'549'      DOI:'10.1016/j.foodcont.2003.08.009'      Title:'Biological activities of the essential oils and methanol extract of Origanum vulgare ssp. vulgare in the Eastern Anatolia region of Turkey'
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