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ScientificNameLabel
ar-dihydro-turmerone
PHCD compound ID : 4758
Chemical Names :
ar-dihydro-turmerone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (6S)-2-methyl-6-(p-tolyl)heptan-4-one , (6S)-2-methyl-6-(4-methylphenyl)-4-heptanone , (6S)-2-methyl-6-(4-methylphenyl)heptan-4-one
Smiles: CC(CC(=O)C[C@@H](c1ccc(cc1)C)C)C
InChi : InChI=1S/C15H22O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5-8,11,13H,9-10H2,1-4H3/t13-/m0/s1
InChi Key : InChIKey=FWSUEHMNQCROMJ-ZDUSSCGKSA-N
PubChem ID : 13970960
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.202604
Hydrogen bond donor count : 0 Electric dipole moment : 3.024
XLogP : 4.124 VDW volume : 242.984161
Molecular weight : 218.167065 HOMO-LUMO gap : 9.526000
Herb list :
Refrences & Litretures:
  
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
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