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ScientificNameLabel
Gamma-Eudesmol acetat
PHCD compound ID : 5189
Chemical Names :
Gamma-Eudesmol acetate , Gamma-Eudesmol acetat
Molecular Formula : C17H28O3
Molecular Weight : 280.203845
More Details :
Names & Synonyms: [(4aR,7R)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate , acetic acid [(4aR,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] ester , [(4aR,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate , [(4aR,7R)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] acetate , [(4aR,7R)-1,4a-dimethyl-7-(2-oxidanylpropan-2-yl)-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] ethanoate , acetic acid [(4aR,7R)-7-(1-hydroxy-1-methyl-ethyl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] ester
Smiles: CC(=O)O[C@H]1CC[C@@]2(C(=C1C)C[C@@H](CC2)C(O)(C)C)C
InChi : InChI=1S/C17H28O3/c1-11-14-10-13(16(3,4)19)6-8-17(14,5)9-7-15(11)20-12(2)18/h13,15,19H,6-10H2,1-5H3/t13-,15+,17-/m1/s1
InChi Key : InChIKey=YXURJMMCMGXMJW-UKPHBRMFSA-N
PubChem ID : 129864076
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.861066
Hydrogen bond donor count : 1 Electric dipole moment : 4.350
XLogP : 2.75 VDW volume : 298.973043
Molecular weight : 280.203845 HOMO-LUMO gap : 10.019000
Herb list :
Refrences & Litretures:
  
821.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2018'      Volume:'21'      Page:'164'      DOI:'10.1080/0972060X.2018.1451394'      Title:'Evaluation of the Wound Healing Activity of Chenopodium botrys Leaves Essential Oil in Rats (A Short-Term Study)'
822.      Journal:'International Journal of Pharmacognosy and Phytochemical Research'      Year:'2016'      Volume:'8'      Page:'1881'      DOI:''      Title:'Chemical Composition and Antibacterial Properties of Chenopodium botrys L. Essential Oil'
824.      Journal:'Macedonian pharmaceutical bulletin'      Year:'2014'      Volume:'60'      Page:'45'      DOI:''      Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
827.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'193'      DOI:'10.1080/10412905.2003.9712110'      Title:'Chemical Composition of the Essential Oils of Chenopodium botrys L. from Two Different Locations in Iran'
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