Products 1416253-68-3

CAS 1416253-68-3 is the registry number for Guaiacol-b-D-gentiobioside, >95% (HPLC). Offered by: TRC. Available pack sizes: 50mg, 5mg.

Guaiacol-b-D-gentiobioside, >95% (HPLC)
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol (CAS 1416253-68-3) is a chemical compound with the molecular formula C19H28O12 and a molecular weight of 448.4 g/mol. IUPAC name: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol. InChIKey: CJEAIMVSKBRXEH-SKYGPZSASA-N.

Identity
Molecular formulaC19H28O12
Molecular weight448.4 g/mol
IUPAC name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxyphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
InChIKeyCJEAIMVSKBRXEH-SKYGPZSASA-N
SMILESCOC1=CC=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: Guaiacol-b-D-gentiobioside, 2-Methoxyphenyl 6-O-ss-D-glucopyranosyl-ss-D-glucopyranoside
Isomers (same molecular formula)
(2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol C19H28O12
methyl (1S,4aS,5R,7S,7aS)-7-acetyloxy-5-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate C19H28O12