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ScientificNameLabel
Beta-cedren-9-alpha-ol
PHCD compound ID : 2557
Chemical Names :
Beta-cedren-9-alpha-ol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: O[C@H]1C[C@@]23C[C@H](C1=C)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/h9,11-13,16H,2,5-8H2,1,3-4H3/t9-,11+,12-,13+,15-/m0/s1
InChi Key : InChIKey=DJYWGTBEZVORGE-IYBIKKAESA-N
PubChem ID : 119831
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.831964
Hydrogen bond donor count : 1 Electric dipole moment : 2.248
XLogP : 4.612 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.789000
Herb list :
Refrences & Litretures:
  
296.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'233'      DOI:'10.3390/molecules15010233'      Title:'Determination of the Volatile Composition in Essential Oil of Descurainia sophia (L.) Webb ex Prantl (Flixweed) by Gas Chromatography/Mass Spectrometry (GC/MS)'
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