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ScientificNameLabel
epi-beta-Santalene
PHCD compound ID : 996
Chemical Names :
epi-beta-Santalene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (2S)-2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane , (3S)-3-methyl-2-methylene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane , (3S)-3-methyl-2-methylidene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
Smiles: CC(=CCC[C@@]1(C)[C@H]2CC[C@@H](C1=C)C2)C
InChi : InChI=1S/C15H24/c1-11(2)6-5-9-15(4)12(3)13-7-8-14(15)10-13/h6,13-14H,3,5,7-10H2,1-2,4H3/t13-,14+,15-/m1/s1
InChi Key : InChIKey=PGBNIHXXFQBCPU-QLFBSQMISA-N
PubChem ID : 91746538
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.191898
Hydrogen bond donor count : 0 Electric dipole moment : 1.092
XLogP : 5.951 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.479000
Herb list :
Refrences & Litretures:
  
98.      Journal:'Chemistry of Natural Compounds'      Year:'2008'      Volume:'44'      Page:'800'      DOI:''      Title:'ESSENTIAL OIL COMPOSITION OF Tripleurospermum disciforme FROM IRAN'
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
386.      Journal:'International Journal of Antimicrobial Agents'      Year:'2008'      Volume:'31'      Page:'581'      DOI:'10.1016/j.ijantimicag.2008.02.005'      Title:'Antimicrobial activity of Inula helenium L. essential oil against Gram-positive and Gramnegative bacteria and Candida spp'
738.      Journal:'Grasas y Aceites'      Year:'2007'      Volume:'58'      Page:'359'      DOI:''      Title:'Chemical composition of carrot seeds (Daucus carota L.) cultivated in Turkey: characterization of the seed oil and essential oil'
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