Products 135074-86-1

CAS 135074-86-1 is the registry number for Dide-o-methylsimmondsin. Offered by: Biosynth. Available pack sizes: 25mg, 10mg, 50mg.

Dide-o-methylsimmondsin
Biosynth
  • size: 25mg, 10mg, 50mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

Dide-O-methylsimmondsin is a glycoside.

Source: ChEBI

Identity
Molecular formulaC14H21NO9
Molecular weight347.32 g/mol
IUPAC name(2E)-2-[2,3,4-trihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexylidene]acetonitrile
InChIKeyMRQYIJOEUFLPMV-KTAJNNJTSA-N
SMILESC1C(C(C(/C(=C\C#N)/C1OC2C(C(C(C(O2)CO)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Dide-O-methylsimmondsin
Isomers (same molecular formula)
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-aminooxan-2-yl]methyl acetate C14H21NO9
3-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]propanoic acid C14H21NO9
[(2R,3S,4R,5R)-5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate C14H21NO9
[(2R,3S,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate C14H21NO9
[(2R,3R,4R,5R,6S)-3,4,6-triacetyloxy-5-aminooxan-2-yl]methyl acetate C14H21NO9
(2R,3R)-2,3-dihydroxybutanedioic acid;methyl (1R,2R,5S)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate C14H21NO9
[(2R,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-aminooxan-2-yl]methyl acetate C14H21NO9
[(3S,4S,6R)-5-acetamido-4,6-diacetyloxy-3-hydroxyoxan-2-yl]methyl acetate C14H21NO9
[(3R,4S,6R)-5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate C14H21NO9
(5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl)methyl acetate C14H21NO9