Products 898827-00-4

CAS 898827-00-4 is the registry number for Gymnoside IX. Offered by: Biosynth, MedChemExpress. Available pack sizes: 1mg, 2mg, 5mg, 25mg, 10mg, 10 mg, 5 mg, 1 mg.

Gymnoside IX
Biosynth, MedChemExpress
  • size: 1mg, 2mg, 5mg, 25mg
  • Variants: 8
from 1155.61
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Structural formula: {0} (CAS {1})

Bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate (CAS 898827-00-4) is a chemical compound with the molecular formula C51H64O24 and a molecular weight of 1061.0 g/mol. IUPAC name: bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate. InChIKey: VGDRWWNKEHJEQB-CDMCBZOZSA-N.

Identity
Molecular formulaC51H64O24
Molecular weight1061.0 g/mol
IUPAC namebis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4R,5S,6R)-6-(acetyloxymethyl)-3,4-dihydroxy-5-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate
InChIKeyVGDRWWNKEHJEQB-CDMCBZOZSA-N
SMILESCC(C)C[C@@](CC(=O)OCC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)(C(=O)OCC3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)C)OC(=O)/C=C/C6=CC=CC=C6)O)O

Computed by PubChem (NCBI)

Synonyms: Gymnoside IX, orb1942519
Isomers (same molecular formula)
bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] (2R)-2-[(2S,3R,4S,5R,6R)-6-(acetyloxymethyl)-3,5-dihydroxy-4-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]oxy-2-(2-methylpropyl)butanedioate C51H64O24