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ScientificNameLabel
arnicenone
PHCD compound ID : 2134
Chemical Names :
arnicenone
Molecular Formula : C15H22O1
Molecular Weight : 218.167065
More Details :
Names & Synonyms: (3aR,5aR,8S,8aS)-3a,5,5a,8-tetramethyl-2,3,7,8-tetrahydro-1H-cyclopenta[d]pentalen-6-one
Smiles: C[C@H]1CC(=O)[C@]2([C@]31CCC[C@]3(C)C=C2C)C
InChi : InChI=1S/C15H22O/c1-10-8-12(16)14(4)11(2)9-13(3)6-5-7-15(10,13)14/h9-10H,5-8H2,1-4H3/t10-,13+,14-,15-/m0/s1
InChi Key : InChIKey=RRCHUAUWSLVPRW-PUPMMZHASA-N
PubChem ID : 42608193
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.182498
Hydrogen bond donor count : 0 Electric dipole moment : 2.771
XLogP : 4.006 VDW volume : 234.444161
Molecular weight : 218.167065 HOMO-LUMO gap : 10.081000
Herb list :
Refrences & Litretures:
  
254.      Journal:'Journal of Essential Oil Research'      Year:'2011'      Volume:'23'      Page:'91'      DOI:'10.1080/10412905.2011.9700432'      Title:'Constituents of the Essential Oil from Hairy Roots and Plant Roots of Arnica montana L'
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