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ScientificNameLabel
Nerolidyl acetate
PHCD compound ID : 4673
Chemical Names :
Nerolidyl acetate
Molecular Formula : C17H28O2
Molecular Weight : 264.20893
More Details :
Names & Synonyms: [(1S,4Z)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] acetate , acetic acid [(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] ester , [(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate , [(3S,6Z)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] ethanoate , acetic acid [(1S,4Z)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] ester
Smiles: C=C[C@@](OC(=O)C)(CC/C=C(\CCC=C(C)C)/C)C
InChi : InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3/b15-12-/t17-/m1/s1
InChi Key : InChIKey=PRNJXUQTUSFYLV-MLRPBERTSA-N
PubChem ID : 6434513
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.074849
Hydrogen bond donor count : 0 Electric dipole moment : 1.608
XLogP : 5.03 VDW volume : 309.622816
Molecular weight : 264.20893 HOMO-LUMO gap : 10.056000
Herb list :
Refrences & Litretures:
  
742.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2014'      Volume:'17'      Page:'1287'      DOI:'10.1080/0972060X.2014.977572'      Title:'Comparing Stem and Seed Essential Oil in Dorema ammoniacum D. Don. From Iran'
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