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10,11-epoxy-Calamenene
PHCD compound ID : 5210
Chemical Names :
10,11-epoxy-Calamenene
Molecular Formula : C15H20O1
Molecular Weight : 216.151415
More Details :
Names & Synonyms: (8R)-4,8,10,10-tetramethyl-9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene , (8R)-4,8,10,10-tetramethyl-9-oxatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
Smiles: Cc1ccc2c(c1)[C@@H]1CC[C@@]2(C)OC1(C)C
InChi : InChI=1S/C15H20O/c1-10-5-6-13-11(9-10)12-7-8-15(13,4)16-14(12,2)3/h5-6,9,12H,7-8H2,1-4H3/t12-,15+/m0/s1
InChi Key : InChIKey=RWNMGACJGXHHHN-SWLSCSKDSA-N
PubChem ID : 91747412
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.105844
Hydrogen bond donor count : 0 Electric dipole moment : 1.426
XLogP : 2.771 VDW volume : 220.907703
Molecular weight : 216.151415 HOMO-LUMO gap : 9.510000
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'
843.      Journal:'Journal of Essential Oil Research'      Year:'2010'      Volume:'22'      Page:'354'      DOI:'10.1080/10412905.2010.9700344'      Title:'Essential Oil Composition of Ephedra nebrodensis Tineo ex Guss. subsp. nebrodensis from Central Italy'
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