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ScientificNameLabel
Beta-Santalene
PHCD compound ID : 4511
Chemical Names :
Beta-Santalene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1S,2R,4R)-2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane , (1R,3R,4S)-3-methyl-2-methylene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane , (1R,3R,4S)-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-ILXRZTDVSA-N
PubChem ID : 10889018
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.185331
Hydrogen bond donor count : 0 Electric dipole moment : 1.055
XLogP : 5.951 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.461000
Herb list :
Refrences & Litretures:
  
670.      Journal:'Journal of Essential Oil Research'      Year:'2014'      Volume:'26'      Page:'400'      DOI:'10.1080/10412905.2014.964428'      Title:'Antimicrobial activity and chemical composition of Citrus aurantifolia (Christm.) Swingle essential oil from Italian organic crops'
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