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ScientificNameLabel
Guaiol acetate
PHCD compound ID : 811
Chemical Names :
Guaiol acetate
Molecular Formula : C17H28O2
Molecular Weight : 264.20893
More Details :
Names & Synonyms: [1-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]-1-methyl-ethyl] acetate , acetic acid 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl ester , 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate , 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl ethanoate , acetic acid [1-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]-1-methyl-ethyl] ester
Smiles: CC(=O)OC([C@@H]1CC[C@@H](C2=C(C1)[C@@H](C)CC2)C)(C)C
InChi : InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1
InChi Key : InChIKey=DRFSOBZVMGLICQ-SGMGOOAPSA-N
PubChem ID : 240122
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.754252
Hydrogen bond donor count : 0 Electric dipole moment : 2.171
XLogP : 4.767 VDW volume : 290.182816
Molecular weight : 264.20893 HOMO-LUMO gap : 10.085000
Herb list :
Refrences & Litretures:
  
57.      Journal:'Intl. Res. J. Appl. Basic. Sci'      Year:'2012'      Volume:'3'      Page:'919'      DOI:''      Title:'Bitter and Sweet Ferula assa-foetida L. Essential oil Composition from Iran and its Comparison with Ferula assa-foetida L. used in India'
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'
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