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ScientificNameLabel
Furopelargone A
PHCD compound ID : 5360
Chemical Names :
Furopelargone A
Molecular Formula : C15H22O2
Molecular Weight : 234.16198
More Details :
Names & Synonyms: 1-[(1R,2S,3S)-2-(3-isopropyl-2-furyl)-3-methyl-cyclopentyl]ethanone , 1-[(1R,2S,3S)-3-methyl-2-(3-propan-2-yl-2-furanyl)cyclopentyl]ethanone , 1-[(1R,2S,3S)-3-methyl-2-(3-propan-2-ylfuran-2-yl)cyclopentyl]ethanone , 1-[(1R,2S,3S)-3-methyl-2-(3-propan-2-ylfuran-2-yl)cyclopentyl]ethanone
Smiles: CC(=O)[C@@H]1CC[C@@H]([C@@H]1c1occc1C(C)C)C
InChi : InChI=1S/C15H22O2/c1-9(2)12-7-8-17-15(12)14-10(3)5-6-13(14)11(4)16/h7-10,13-14H,5-6H2,1-4H3/t10-,13-,14-/m0/s1
InChi Key : InChIKey=DVIZGXBTTFXQQC-BPNCWPANSA-N
PubChem ID : 6451194
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.953957
Hydrogen bond donor count : 0 Electric dipole moment : 3.366
XLogP : 3.052 VDW volume : 242.054388
Molecular weight : 234.16198 HOMO-LUMO gap : 9.606000
Herb list :
Refrences & Litretures:
  
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
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