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6R,7R-Bisabolone
PHCD compound ID : 2947
Chemical Names :
6R,7R-Bisabolone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (6S)-6-[(1S)-1,5-dimethylhex-4-enyl]-3-methyl-cyclohex-2-en-1-one , (6S)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]-1-cyclohex-2-enone , (6S)-3-methyl-6-[(2S)-6-methylhept-5-en-2-yl]cyclohex-2-en-1-one
Smiles: CC(=CCC[C@@H]([C@@H]1CCC(=CC1=O)C)C)C
InChi : InChI=1S/C15H24O/c1-11(2)6-5-7-13(4)14-9-8-12(3)10-15(14)16/h6,10,13-14H,5,7-9H2,1-4H3/t13-,14-/m0/s1
InChi Key : InChIKey=KNOUERLLBMJGLF-KBPBESRZSA-N
PubChem ID : 91746688
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 8.881700
Hydrogen bond donor count : 0 Electric dipole moment : 4.256
XLogP : 4.165 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 8.935000
Herb list :
Refrences & Litretures:
  
372.      Journal:'Food and Chemical Toxicology'      Year:'2010'      Volume:'48'      Page:'1026'      DOI:'10.1016/j.fct.2010.01.015'      Title:'Comparative study of chemical composition and antioxidant activity of fresh and dry rhizomes of turmeric (Curcuma longa Linn.)'
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