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Compound: 5546
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References: 992
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Phytane
ScientificNameLabel
Phytane
PHCD compound ID :
45
Chemical Names :
2,6,10,14-Tetramethyl hexadecane , Phytane , Hexadecane,2,6,10,14-tetramethyl- , 2,6,10,14-Tetramethylhexadecane
Molecular Formula :
C20H42
Molecular Weight :
282.328651
More Details :
Names & Synonyms:
2,6,10,14-tetramethylhexadecane
Smiles:
CC[C@H](CCC[C@H](CCC[C@@H](CCCC(C)C)C)C)C
InChi :
InChI=1S/C20H42/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h17-20H,7-16H2,1-6H3/t18-,19-,20-/m1/s1
InChi Key :
InChIKey=GGYKPYDKXLHNTI-VAMGGRTRSA-N
PubChem ID :
12523
Rotatable bond count :
13
Rule of five :
2
Hydrogen bond acceptor count :
0
Ionization potential :
10.603172
Hydrogen bond donor count :
0
Electric dipole moment :
0.113
XLogP :
11.476
VDW volume :
354.476151
Molecular weight :
282.328651
HOMO-LUMO gap :
14.486000
Herb list :
Damask rose, Persian rose - Rosa damascena - گل محمدی، گل گلاب
Fig - Ficus carica - انجیر، شال انجیر
Harmel - Peganum harmala - اسپند، اسفند
Red pepper - Capsicum annuum - فلفل قرمز
Refrences & Litretures:
2. Journal:'Z. Naturforsch' Year:'2005' Volume:'60' Page:'707' DOI:'' Title:'Antimicrobial Activity and Main Chemical Composition of Two Smoke Condensates from Peganum harmala Seeds'
36. Journal:'Journal of Essential Oil Bearing Plants' Year:'2010' Volume:'13' Page:'316' DOI:'10.1080/0972060X.2010.10643827' Title:'Volatile Constituents of Leaves of Ficus carica Linn. Grown in Egypt'
546. Journal:'Food Chemistry' Year:'2007' Volume:'102' Page:'1096' DOI:'10.1016/j.foodchem.2006.06.047' Title:'Chemical and biological variability of hot pepper fruits (Capsicum annuum var. acuminatum L.) in relation to maturity stage'
634. Journal:'Chemistry of Natural Compounds' Year:'2009' Volume:'45' Page:'110' DOI:'' Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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