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ScientificNameLabel
Beta-Chenopodiol
PHCD compound ID : 5193
Chemical Names :
Beta-Chenopodiol , Beta-Chenopodiol-6-acetat
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms: (1R,2R,4aR,8aS)-2-(1-hydroxy-1-methyl-ethyl)-4a-methyl-8-methylene-decalin-1-ol , (1R,2R,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol , (1R,2R,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol , (1R,2R,4aR,8aS)-2-(2-hydroxypropan-2-yl)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol , (1R,2R,4aR,8aS)-4a-methyl-8-methylidene-2-(2-oxidanylpropan-2-yl)-1,2,3,4,5,6,7,8a-octahydronaphthalen-1-ol
Smiles: C=C1CCC[C@]2([C@H]1[C@@H](O)[C@@H](CC2)C(O)(C)C)C
InChi : InChI=1S/C15H26O2/c1-10-6-5-8-15(4)9-7-11(14(2,3)17)13(16)12(10)15/h11-13,16-17H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
InChi Key : InChIKey=FIUXTXZNWKOFPH-GUIRCDHDSA-N
PubChem ID : 12978160
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.241208
Hydrogen bond donor count : 2 Electric dipole moment : 3.931
XLogP : 3.596 VDW volume : 258.227305
Molecular weight : 238.19328 HOMO-LUMO gap : 10.949000
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'
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