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ScientificNameLabel
Laurenene
PHCD compound ID : 1975
Chemical Names :
Laurenene
Molecular Formula : C20H32
Molecular Weight : 272.250401
More Details :
Names & Synonyms:
Smiles: C[C@H]1CCC[C@]2([C@@]34C1=CC[C@@]4(C)CC([C@@H]3CC2)(C)C)C
InChi : InChI=1S/C20H32/c1-14-7-6-10-18(4)12-9-16-17(2,3)13-19(5)11-8-15(14)20(16,18)19/h8,14,16H,6-7,9-13H2,1-5H3/t14-,16-,18+,19-,20+/m0/s1
InChi Key : InChIKey=TYDFDHZTDWVUJF-ARSBKQPYSA-N
PubChem ID : 91747181
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 8.907879
Hydrogen bond donor count : 0 Electric dipole moment : 0.366
XLogP : 8.812 VDW volume : 302.413858
Molecular weight : 272.250401 HOMO-LUMO gap : 10.401000
Herb list :
Refrences & Litretures:
  
233.      Journal:'Arabian Journal of Chemistry'      Year:'2013'      Volume:''      Page:''      DOI:'10.1016/j.arabjc.2013.08.015'      Title:'Chemical composition analysis of the essential oil of Solanumn nigrum L. by HS/SPME method and calculation of the biochemical coe?cients of the components'
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