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ScientificNameLabel
phytol acetate
PHCD compound ID : 2222
Chemical Names :
phytol acetate , E-Phytol acetate
Molecular Formula : C22H42O2
Molecular Weight : 338.318481
More Details :
Names & Synonyms: [(E)-3,7,11,15-tetramethylhexadec-2-enyl] acetate , acetic acid [(E)-3,7,11,15-tetramethylhexadec-2-enyl] ester , [(E)-3,7,11,15-tetramethylhexadec-2-enyl] ethanoate
Smiles: C[C@H](CCC/C(=C/COC(=O)C)/C)CCC[C@@H](CCCC(C)C)C
InChi : InChI=1S/C22H42O2/c1-18(2)10-7-11-19(3)12-8-13-20(4)14-9-15-21(5)16-17-24-22(6)23/h16,18-20H,7-15,17H2,1-6H3/b21-16+/t19-,20+/m1/s1
InChi Key : InChIKey=JIGCTXHIECXYRJ-PBPDYRETSA-N
PubChem ID : 6428538
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.592758
Hydrogen bond donor count : 0 Electric dipole moment : 2.419
XLogP : 9.689 VDW volume : 401.375656
Molecular weight : 338.318481 HOMO-LUMO gap : 10.348000
Herb list :
Refrences & Litretures:
  
261.      Journal:'Herba Polonica'      Year:'2009'      Volume:'55'      Page:'153'      DOI:''      Title:'Contents and chemical composition of essential oils from wild strawberry (Fragaria vesca L.)'
314.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'373'      DOI:'10.1080/0972060X.2012.10644063'      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Verbascum thapsus L'
397.      Journal:'International Journal of Pharmacology & Toxicology'      Year:'2015'      Volume:'5'      Page:'42'      DOI:''      Title:'CHEMICAL AND ANTIMICROBIAL PROPERTIES OF ESSENTIAL OILS OF Olea europea L'
714.      Journal:'African Journal of Biotechnology'      Year:'2010'      Volume:'9'      Page:'2709'      DOI:''      Title:'Phenols, essential oils and carotenoids of Rosa canina from Tunisia and their antioxidant activities'
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