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ScientificNameLabel
E-Nerolidol acetate
PHCD compound ID : 1282
Chemical Names :
(E)-nerolidyl acetate , E-Nerolidol acetate
Molecular Formula : C17H28O2
Molecular Weight : 264.20893
More Details :
Names & Synonyms: [(4E)-1,5,9-trimethyl-1-vinyl-deca-4,8-dienyl] acetate , acetic acid [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] ester , [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] acetate , [(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] ethanoate , acetic acid [(4E)-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-OKACTXMXSA-N
PubChem ID : 5363426
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 9.113547
Hydrogen bond donor count : 0 Electric dipole moment : 1.422
XLogP : 5.03 VDW volume : 309.622816
Molecular weight : 264.20893 HOMO-LUMO gap : 10.068000
Herb list :
Refrences & Litretures:
  
136.      Journal:'J. Essent. Oil Res'      Year:'2006'      Volume:'18'      Page:'164'      DOI:'10.1080/10412905.2006.9699055'      Title:'Essential Oil Composition of Lallemantia iberica Fisch. et C.A. Mey'
151.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'617'      DOI:'10.1080/0972060X.2011.10643980'      Title:'Comparison of Chemical Composition of Achillea eriophora and A. wilhelmsii Grown in Wild and Cultivated Conditions in Iran'
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