Products 59252-47-0

CAS 59252-47-0 is the registry number for Gastrodin Impurity 5. Offered by: Chemat Brand. Available pack sizes: on request.

Gastrodin Impurity 5
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate (CAS 59252-47-0) is a chemical compound with the molecular formula C23H28O12 and a molecular weight of 496.5 g/mol. IUPAC name: [4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate. InChIKey: ZFAXRAALWQSKDW-XNBWIAOKSA-N.

Identity
Molecular formulaC23H28O12
Molecular weight496.5 g/mol
IUPAC name[4-[(2S,3R,4S,5R,6R)-2,3,4,5-tetraacetyloxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl acetate
InChIKeyZFAXRAALWQSKDW-XNBWIAOKSA-N
SMILESCC(=O)OCC1=CC=C(C=C1)[C@@]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Computed by PubChem (NCBI)

Synonyms: Acetylgastrodin, beta-D-Glucopyranoside, 4-((acetyloxy)methyl)phenyl, tetraacetate, 1,2,3,4-Tetra-O-acetyl-1-C-{4-[(acetyloxy)methyl]phenyl}-beta-D-glucopyranose
Isomers (same molecular formula)
(1S,4aS,7S,7aS)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid C23H28O12
(2S,3S,4S,5R,6S)-6-[[5-[(E)-5-carboxy-3-methylpent-2-enyl]-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-4-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H28O12
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)-4-methylhex-4-enoyl]oxyoxane-2-carboxylic acid C23H28O12