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Alpha-Cedrene epoxide
PHCD compound ID : 4302
Chemical Names :
Alpha-Cedrene epoxide
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
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-CLMGUBIUSA-N
PubChem ID : 21120162
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.915722
Hydrogen bond donor count : 0 Electric dipole moment : 1.671
XLogP : 4.953 VDW volume : 227.36062
Molecular weight : 220.182715 HOMO-LUMO gap : 12.474000
Herb list :
Refrences & Litretures:
  
627.      Journal:'Chemistry of Natural Compounds'      Year:'2015'      Volume:'51'      Page:'171'      DOI:'10.1007/s10600-015-1233-8'      Title:'CHEMICAL COMPOSITION OF THE ALIPHATIC COMPOUND-RICH ESSENTIAL OIL OF Rosa foetida FROM IRAN'
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