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ScientificNameLabel
9-Cedranone
PHCD compound ID : 235
Chemical Names :
9-Cedranone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: O=C1C[C@@]23C[C@H]([C@@H]1C)C([C@H]3CC[C@@H]2C)(C)C
InChi : InChI=1S/C15H24O/c1-9-5-6-13-14(3,4)11-7-15(9,13)8-12(16)10(11)2/h9-11,13H,5-8H2,1-4H3/t9-,10-,11+,13+,15-/m0/s1
InChi Key : InChIKey=CHPQWDBBFXQHQC-JUFVYRIHSA-N
PubChem ID : 111402
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.692036
Hydrogen bond donor count : 0 Electric dipole moment : 3.279
XLogP : 4.854 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.797000
Herb list :
Refrences & Litretures:
  
14.      Journal:'Phytochem. Anal. 2014, 25, 273'      Year:'2014'      Volume:'25'      Page:'273'      DOI:'10.1002/pca.2503'      Title:'Chemometric Resolution Approaches in Characterisation of Volatile Constituents in Plantago ovata Seeds using Gas Chromatography–Mass Spectrometry: Methodology and Performance Assessment'
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