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ScientificNameLabel
bornyl isvalerate
PHCD compound ID : 740
Chemical Names :
Bornyl isovalerate , bornyl isvalerate
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] 3-methylbutanoate , 3-methylbutanoic acid [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] ester , [(1S,3R,4S)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl] 3-methylbutanoate , 3-methylbutyric acid [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] ester
Smiles: CC(CC(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)C
InChi : InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12+,15+/m0/s1
InChi Key : InChIKey=MPYYVGIJHREDBO-YWPYICTPSA-N
PubChem ID : 23623651
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.183420
Hydrogen bond donor count : 0 Electric dipole moment : 2.103
XLogP : 4.804 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 11.471000
Herb list :
Refrences & Litretures:
  
50.      Journal:'Pharmaceutical Biology'      Year:'2011'      Volume:'49'      Page:'920'      DOI:'10.3109/13880209.2011.556650'      Title:'Chemical composition, antibacterial activity and cytotoxicity of essential oils of Tanacetum parthenium in different developmental stages'
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
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'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
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