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15 copaenol
PHCD compound ID : 4659
Chemical Names :
15 copaenol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms:
Smiles: OC[C@@]12CC[C@@H]([C@H]3[C@@H]1CC=C([C@@H]23)C)C(C)C
InChi : InChI=1S/C15H24O/c1-9(2)11-6-7-15(8-16)12-5-4-10(3)14(15)13(11)12/h4,9,11-14,16H,5-8H2,1-3H3/t11-,12+,13+,14-,15+/m1/s1
InChi Key : InChIKey=FJQZXWCSOKYVLO-FQKPHLNHSA-N
PubChem ID : 91751356
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.217901
Hydrogen bond donor count : 1 Electric dipole moment : 2.095
XLogP : 4.312 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.312000
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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