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ScientificNameLabel
3-iso-Thujopsanone
PHCD compound ID : 4191
Chemical Names :
3-iso-Thujopsanone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (1aS,8aS)-2,4a,8,8-tetramethyl-1a,2,4,5,6,7-hexahydro-1H-cyclopropa[j]naphthalen-3-one
Smiles: O=C1C[C@]2(C)CCCC([C@@]32[C@H]([C@@H]1C)C3)(C)C
InChi : InChI=1S/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3/t10-,11-,14-,15-/m0/s1
InChi Key : InChIKey=LFWRAJWJODKLTN-GVARAGBVSA-N
PubChem ID : 91747163
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.668804
Hydrogen bond donor count : 0 Electric dipole moment : 3.213
XLogP : 4.952 VDW volume : 237.08062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.707000
Herb list :
Refrences & Litretures:
  
595.      Journal:'J. Serb. Chem. Soc'      Year:'2010'      Volume:'75'      Page:'1661'      DOI:'10.2298/JSC100524126M'      Title:'The composition and antibacterial activity of the essential oil of Levisticum officinale Koch flowers and fruits at different developmental stages'
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