Products 116981-90-9

CAS 116981-90-9 is the registry number for 4-(Trifluoromethyl)umbelliferyl-b-D-cellotrioside. Offered by: Chemat, Biosynth. Available pack sizes: 10mg, 1mg, 2mg, 5mg.

4-(Trifluoromethyl)umbelliferyl-b-D-cellotrioside
Chemat, Biosynth
  • size: 10mg, 1mg, 2mg, 5mg
  • Variants: 7
from 1631.80
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Structural formula: {0} (CAS {1})

7-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(trifluoromethyl)chromen-2-one (CAS 116981-90-9) is a chemical compound with the molecular formula C28H35F3O18 and a molecular weight of 716.6 g/mol. IUPAC name: 7-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(trifluoromethyl)chromen-2-one. InChIKey: CSEGIKFULSNPJZ-KHEBRHQFSA-N.

Identity
Molecular formulaC28H35F3O18
Molecular weight716.6 g/mol
IUPAC name7-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-(trifluoromethyl)chromen-2-one
InChIKeyCSEGIKFULSNPJZ-KHEBRHQFSA-N
SMILESC1=CC2=C(C=C1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)OC(=O)C=C2C(F)(F)F

Computed by PubChem (NCBI)

Synonyms: 4-(Trifluoromethyl)umbelliferyl-b-D-cellotrioside, 4-(Trifluoromethyl)umbelliferyl-?-D-cellotrioside