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3,7,11,15-tetramethyl-2-hexadecyl ester
PHCD compound ID : 4291
Chemical Names :
3,7,11,15-tetramethyl-2-hexadecyl ester
Molecular Formula : C17H14O6
Molecular Weight : 314.079038
More Details :
Names & Synonyms:
Smiles: COc1ccc(cc1)c1oc2c(OC)c(O)ccc2c(=O)c1O
InChi : InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)15-14(20)13(19)11-7-8-12(18)17(22-2)16(11)23-15/h3-8,18,20H,1-2H3
InChi Key : InChIKey=PNUDYZCCEQFVPZ-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.507319
Hydrogen bond donor count : 2 Electric dipole moment : 2.264
XLogP : 2.128 VDW volume : 275.368512
Molecular weight : 314.079038 HOMO-LUMO gap : 7.636000
Herb list :
Refrences & Litretures:
  
619.      Journal:'Iranian Journal of Plant Physiology'      Year:'2012'      Volume:'2'      Page:'339'      DOI:''      Title:'Investigating the chemical composition of different parts extracts of bipod nettle Urtica dioica L. in Tonekabon region'
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