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8,14-Cedranediol
PHCD compound ID : 1800
Chemical Names :
8,14-Cedranediol
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms:
Smiles: OC[C@]1(C)[C@H]2C[C@@]3([C@H]1CC[C@H]3C)CC[C@@]2(C)O
InChi : InChI=1S/C15H26O2/c1-10-4-5-11-13(2,9-16)12-8-15(10,11)7-6-14(12,3)17/h10-12,16-17H,4-9H2,1-3H3/t10-,11+,12-,13+,14-,15+/m1/s1
InChi Key : InChIKey=YULHLOUAHSEHLD-DXUDUQDWSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.996495
Hydrogen bond donor count : 2 Electric dipole moment : 2.605
XLogP : 3.411 VDW volume : 248.507305
Molecular weight : 238.19328 HOMO-LUMO gap : 12.818000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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