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ScientificNameLabel
khusiol
PHCD compound ID : 479
Chemical Names :
khusiol
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms:
Smiles: C[C@H]1CC[C@H]2[C@@]31CC[C@]([C@@H](C3)O)(C2(C)C)C
InChi : InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)14(4)7-8-15(10,11)9-12(14)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12+,14+,15-/m0/s1
InChi Key : InChIKey=CSTOJISGDOIIDQ-PRSHDEELSA-N
PubChem ID : 15161428
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 9.971961
Hydrogen bond donor count : 1 Electric dipole moment : 1.670
XLogP : 5.154 VDW volume : 239.717079
Molecular weight : 222.198365 HOMO-LUMO gap : 13.054000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
30.      Journal:'Phytochemistry'      Year:'2005'      Volume:'66'      Page:'507'      DOI:'10.1016/j.phytochem.2005.01.007'      Title:'Identi?cation of an EcoRI restriction site for a rapid and precise determination of ?-asarone-free Acorus calamus cytotypes'
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