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5.9-Methanobenzocycloocten-4(1H)-one. 2.3.5.6.7.8.9.10-octahydro-5-hydroxy-2.2.7.7.9-pentamethyl-
PHCD compound ID : 3790
Chemical Names :
5.9-Methanobenzocycloocten-4(1H)-one. 2.3.5.6.7.8.9.10-octahydro-5-hydroxy-2.2.7.7.9-pentamethyl-
Molecular Formula : C18H28O2
Molecular Weight : 276.20893
More Details :
Names & Synonyms:
Smiles: O=C1CC(C)(C)CC2=C1[C@@]1(O)CC(C[C@@](C2)(C1)C)(C)C
InChi : InChI=1S/C18H28O2/c1-15(2)6-12-7-17(5)9-16(3,4)10-18(20,11-17)14(12)13(19)8-15/h20H,6-11H2,1-5H3/t17-,18-/m1/s1
InChi Key : InChIKey=IJDSUFQMYUARCQ-QZTJIDSGSA-N
PubChem ID : 609628
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.592385
Hydrogen bond donor count : 1 Electric dipole moment : 5.668
XLogP : 3.921 VDW volume : 295.122342
Molecular weight : 276.20893 HOMO-LUMO gap : 9.520000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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