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ScientificNameLabel
bornyl 2-methylbutyrate
PHCD compound ID : 1469
Chemical Names :
Isobornyl 2-Methylbutyrate , Isobornyl 2-methyl butanoate , isobornyl 2-methylbutanoate , bornyl 2-methylbutyrate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (1,7,7-trimethylnorbornan-2-yl) 2-methylbutanoate , 2-methylbutanoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester , (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) 2-methylbutanoate , 2-methylbutyric acid 2-bornyl ester
Smiles: CC[C@H](C(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)C
InChi : InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t10-,11+,12-,15-/m1/s1
InChi Key : InChIKey=CEVCMCWHMHJEQS-NWJSVONSSA-N
PubChem ID : 22082179
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.208630
Hydrogen bond donor count : 0 Electric dipole moment : 2.030
XLogP : 4.589 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 11.546000
Herb list :
Refrences & Litretures:
  
156.      Journal:'Annals of Biological Research'      Year:'2012'      Volume:'3'      Page:'385'      DOI:''      Title:'The Essential Oil Composition of Artemisia vulgaris L. in Iran'
252.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'39'      Page:'177'      DOI:'10.1016/j.indcrop.2012.02.030'      Title:'Rhizome and root yield of the cultivated Arnica montana L., chemical composition and histochemical localization of essential oil'
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
596.      Journal:'J. Essent. Oil Res'      Year:'2008'      Volume:'20'      Page:'318'      DOI:'10.1080/10412905.2008.9700022'      Title:'Composition of the Essential Oil of Levisticum Offcinale W.D.J. Koch from Some European Countries'
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