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endo-Bornyl isobutanoate
PHCD compound ID : 909
Chemical Names :
endo-Bornyl isobutanoate
Molecular Formula : C14H24O2
Molecular Weight : 224.17763
More Details :
Names & Synonyms: (1,7,7-trimethylnorbornan-2-yl) 2-methylpropanoate , 2-methylpropanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-methylpropanoate , 2-methylpropionic acid 2-bornyl ester
Smiles: O=C(C(C)C)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C
InChi : InChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11+,14+/m0/s1
InChi Key : InChIKey=KRKIAJBQOUBNSE-MISXGVKJSA-N
PubChem ID : 91226
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.217439
Hydrogen bond donor count : 0 Electric dipole moment : 1.998
XLogP : 4.02 VDW volume : 240.931321
Molecular weight : 224.17763 HOMO-LUMO gap : 11.532000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
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