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ScientificNameLabel
Bornyl angelate
PHCD compound ID : 760
Chemical Names :
Bornyl angelate
Molecular Formula : C15H24O2
Molecular Weight : 236.17763
More Details :
Names & Synonyms: [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] (Z)-2-methylbut-2-enoate , (Z)-2-methyl-2-butenoic 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] (Z)-2-methylbut-2-enoate , (Z)-2-methylbut-2-enoic acid [(1S,2R,4S)-1,7,7-trimethylnorbornan-2-yl] ester
Smiles: C/C=C(\C(=O)O[C@@H]1C[C@H]2C([C@]1(C)CC2)(C)C)/C
InChi : InChI=1S/C15H24O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h6,11-12H,7-9H2,1-5H3/b10-6-/t11-,12+,15+/m0/s1
InChi Key : InChIKey=ZUVAGNOBOHVXJJ-BZWVZTCCSA-N
PubChem ID : 6428437
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.924361
Hydrogen bond donor count : 0 Electric dipole moment : 2.120
XLogP : 4.471 VDW volume : 255.590847
Molecular weight : 236.17763 HOMO-LUMO gap : 10.305000
Herb list :
Refrences & Litretures:
  
52.      Journal:'Journal of Oleo Science'      Year:'2010'      Volume:'59'      Page:'177'      DOI:''      Title:'Antibacterial Activity and the Variation of Tanacetum parthenium (L.) Schultz Bip. Essential Oils from Turkey'
53.      Journal:'Industrial Crops and Products'      Year:'2010'      Volume:'31'      Page:'449'      DOI:'10.1016/j.indcrop.2010.01.003'      Title:'The insecticidal activity of Tanacetum parthenium (L.) Schultz Bip. extracts obtained by supercritical ?uid extraction and hydrodistillation'
839.      Journal:'Russian Chemical Bulletin, International Edition'      Year:'2016'      Volume:'65'      Page:'1148'      DOI:'10.1007/s11172-016-1428-6'      Title:'The volatile constituent analysis of Digitalis nervosa Steud. & Hochst. ex Benth. from Iran'
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