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ScientificNameLabel
iso-Leptospermone
PHCD compound ID : 5326
Chemical Names :
iso-Leptospermone
Molecular Formula : C15H22O4
Molecular Weight : 266.151809
More Details :
Names & Synonyms: 2,2,4,4-tetramethyl-6-(2-methylbutanoyl)cyclohexane-1,3,5-trione , 2,2,4,4-tetramethyl-6-(2-methyl-1-oxobutyl)cyclohexane-1,3,5-trione
Smiles: CC[C@H](C(=O)C1C(=O)C(C)(C)C(=O)C(C1=O)(C)C)C
InChi : InChI=1S/C15H22O4/c1-7-8(2)10(16)9-11(17)14(3,4)13(19)15(5,6)12(9)18/h8-9H,7H2,1-6H3/t8-/m1/s1
InChi Key : InChIKey=ZDZMTTISWJCOAE-MRVPVSSYSA-N
PubChem ID : 59518515
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.214025
Hydrogen bond donor count : 0 Electric dipole moment : 1.608
XLogP : 0.965 VDW volume : 280.254841
Molecular weight : 266.151809 HOMO-LUMO gap : 10.124000
Herb list :
Refrences & Litretures:
  
866.      Journal:'Journal of Pharmacognosy and Phytochemistry'      Year:'2016'      Volume:'5'      Page:'99'      DOI:''      Title:'Steam distillation extraction and chemical composition of essential oils of Toddalia asiatica L. and Eucalyptus camaldulensis Dehnh'
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