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ScientificNameLabel
(Z)-beta-Santalene
PHCD compound ID : 1260
Chemical Names :
(Z)-beta-Santalene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms: (1R,2S,4S)-2-methyl-3-methylene-2-(4-methylpent-3-enyl)norbornane , (1S,3S,4R)-3-methyl-2-methylene-3-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane , (1S,3S,4R)-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+/m0/s1
InChi Key : InChIKey=PGBNIHXXFQBCPU-RRFJBIMHSA-N
PubChem ID : 6430549
Rotatable bond count : 3 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.185791
Hydrogen bond donor count : 0 Electric dipole moment : 1.051
XLogP : 5.951 VDW volume : 238.010393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.463000
Herb list :
Refrences & Litretures:
  
131.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'99'      DOI:'10.1002/jssc.200800404'      Title:'Essential oil composition of Citrusmedica L. Cv. Diamante (Diamante citron) determined after using different extractionmethods'
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