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ScientificNameLabel
Daucol
PHCD compound ID : 4660
Chemical Names :
Daucol
Molecular Formula : C15H26O2
Molecular Weight : 238.19328
More Details :
Names & Synonyms:
Smiles: CC([C@H]1CC[C@]2([C@@]31CC[C@@](O3)(C)[C@H](C2)O)C)C
InChi : InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15+/m1/s1
InChi Key : InChIKey=VLIUMVVQGMLOJG-SEBNEYGDSA-N
PubChem ID : 442363
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.377948
Hydrogen bond donor count : 1 Electric dipole moment : 2.193
XLogP : 3.352 VDW volume : 248.507305
Molecular weight : 238.19328 HOMO-LUMO gap : 11.666000
Herb list :
Refrences & Litretures:
  
738.      Journal:'Grasas y Aceites'      Year:'2007'      Volume:'58'      Page:'359'      DOI:''      Title:'Chemical composition of carrot seeds (Daucus carota L.) cultivated in Turkey: characterization of the seed oil and essential oil'
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