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Bornyl pentanoate
PHCD compound ID : 1026
Chemical Names :
Bornyl pentanoate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: [(2R)-1,7,7-trimethylnorbornan-2-yl] pentanoate , pentanoic acid [(3R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(3R)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] pentanoate , valeric acid [(2R)-1,7,7-trimethylnorbornan-2-yl] ester
Smiles: CCCCC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
InChi : InChI=1S/C15H26O2/c1-5-6-7-13(16)17-12-10-11-8-9-15(12,4)14(11,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,15+/m0/s1
InChi Key : InChIKey=ILUAVCBOWYHFAI-YWPYICTPSA-N
PubChem ID : 61418
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.269732
Hydrogen bond donor count : 0 Electric dipole moment : 2.030
XLogP : 4.865 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 11.559000
Herb list :
Refrences & Litretures:
  
105.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'859'      DOI:''      Title:'Composition and Antibacterial Activity of Essential Oils from Leaf, Stem and Root of Chrysanthemum parthenium (L.) Bernh. from Iran'
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