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ScientificNameLabel
Beta-Cedren-9-one
PHCD compound ID : 4303
Chemical Names :
Beta-Cedren-9-one
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms:
Smiles: C=C1CC[C@@]23C(=O)[C@@H]1C(C)(C)[C@@H]2CC[C@H]3C
InChi : InChI=1S/C15H22O/c1-9-7-8-15-10(2)5-6-11(15)14(3,4)12(9)13(15)16/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-,15+/m1/s1
InChi Key : InChIKey=QDHRHAYTEBCONE-ZAZJYDDPSA-N
PubChem ID : 101412244
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.411729
Hydrogen bond donor count : 0 Electric dipole moment : 3.387
XLogP : 3.427 VDW volume : 234.444161
Molecular weight : 218.167065 HOMO-LUMO gap : 10.230000
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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