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ScientificNameLabel
Tritriakontane
PHCD compound ID : 831
Chemical Names :
Tritriakontane , Tritriacontane , Methyl dotriacontane
Molecular Formula : C33H68
Molecular Weight : 464.532102
More Details :
Names & Synonyms: tritriacontane
Smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChi : InChI=1S/C33H68/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
InChi Key : InChIKey=SUJUOAZFECLBOA-UHFFFAOYSA-N
PubChem ID : 12411
Rotatable bond count : 30 Rule of five : 2
Hydrogen bond acceptor count : 0 Ionization potential : 10.435941
Hydrogen bond donor count : 0 Electric dipole moment : 0.175
XLogP : 19.117 VDW volume : 579.323951
Molecular weight : 464.532102 HOMO-LUMO gap : 14.376000
Herb list :
Refrences & Litretures:
  
61.      Journal:'Talanta'      Year:'2008'      Volume:'76'      Page:'878'      DOI:'10.1016/j.talanta.2008.04.050'      Title:'Application of PLE for the determination of essential oil components from Thymus vulgaris L'
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
678.      Journal:'Molecules'      Year:'2013'      Volume:'18'      Page:'14948'      DOI:'10.3390/molecules181214948'      Title:'Chemical Composition and Biological Activity of Essential Oils of Origanum vulgare L. subsp. vulgare L. under Different Growth Conditions'
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