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Alpha-Cederene epoxide
PHCD compound ID : 5211
Chemical Names :
Alpha-Cederene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane , 2,6,6,8-tetramethyl-9-oxatetracyclo[5.4.1.01,5.08,10]dodecane
Smiles: C[C@@H]1CC[C@@H]2[C@]31C[C@H]1O[C@]1([C@@H](C3)C2(C)C)C
InChi : InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12-,14+,15+/m1/s1
InChi Key : InChIKey=HZRFVTRTTXBHSE-PUUNCGEASA-N
PubChem ID : 122510
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.941965
Hydrogen bond donor count : 0 Electric dipole moment : 2.151
XLogP : 4.953 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 12.548000
Herb list :
Refrences & Litretures:
  
824.      Journal:'Macedonian pharmaceutical bulletin'      Year:'2014'      Volume:'60'      Page:'45'      DOI:''      Title:'Chemical composition of Chenopodium botrys L. (Chenopodiaceae) essential oil'
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