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6S,7R Bisabolone
PHCD compound ID : 2950
Chemical Names :
6S,7R Bisabolone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 6-[(1R)-1,5-dimethylhex-4-enyl]-3-methyl-cyclohex-2-en-1-one , 3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]-1-cyclohex-2-enone , 3-methyl-6-[(2R)-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+/m1/s1
InChi Key : InChIKey=KNOUERLLBMJGLF-KGLIPLIRSA-N
PubChem ID : 91753614
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.093782
Hydrogen bond donor count : 0 Electric dipole moment : 3.876
XLogP : 4.165 VDW volume : 256.52062
Molecular weight : 220.182715 HOMO-LUMO gap : 9.180000
Herb list :
Refrences & Litretures:
  
373.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'191'      DOI:'10.1002/ffj.1780'      Title:'Comparison of chemical composition and antifungal activity of Curcuma longa L. leaf oils produced by different water distillation techniques'
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