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ScientificNameLabel
17-Pentatriacontene
PHCD compound ID : 1678
Chemical Names :
17-Pentatriacontene
Molecular Formula : C35H70
Molecular Weight : 490.547752
More Details :
Names & Synonyms: (E)-pentatriacont-17-ene , (E)-17-pentatriacontene
Smiles: CCCCCCCCCCCCCCCCC/C=C/CCCCCCCCCCCCCCCC
InChi : InChI=1S/C35H70/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32,34H2,1-2H3/b35-33+
InChi Key : InChIKey=BLCUZCCTSBVFSV-LAPDZXRHSA-N
PubChem ID : 5365022
Rotatable bond count : 31 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 9.501942
Hydrogen bond donor count : 0 Electric dipole moment : 0.182
XLogP : 19.739 VDW volume : 611.279462
Molecular weight : 490.547752 HOMO-LUMO gap : 10.828000
Herb list :
Refrences & Litretures:
  
189.      Journal:'Biochemical Systematics and Ecology'      Year:'2012'      Volume:'41'      Page:'6'      DOI:'10.1016/j.bse.2011.11.003'      Title:'Metabolic ?ngerprinting investigation of Tussilago farfara L. by GC–MS and multivariate data analysis'
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