Products 172608-84-3

CAS 172608-84-3 is the registry number for (E)-6-(1,3-Dihydro-1-hydroxy-6-methoxy-4-((2-methoxyethoxy)methoxy)-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid. Offered by: TRC. Available pack sizes: 10mg, 25mg, 5mg.

(E)-6-(1,3-Dihydro-1-hydroxy-6-methoxy-4-((2-methoxyethoxy)methoxy)-7-methyl-3-oxo-5-isobenzofuranyl)-4-methyl-4-hexenoic Acid
TRC
  • size: 10mg, 25mg, 5mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

(E)-6-[1-hydroxy-6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid (CAS 172608-84-3) is a chemical compound with the molecular formula C21H28O9 and a molecular weight of 424.4 g/mol. IUPAC name: (E)-6-[1-hydroxy-6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid. InChIKey: NYNDEDDYDQZMED-LFYBBSHMSA-N.

Identity
Molecular formulaC21H28O9
Molecular weight424.4 g/mol
IUPAC name(E)-6-[1-hydroxy-6-methoxy-4-(2-methoxyethoxymethoxy)-7-methyl-3-oxo-1H-2-benzofuran-5-yl]-4-methylhex-4-enoic acid
InChIKeyNYNDEDDYDQZMED-LFYBBSHMSA-N
SMILESCC1=C2C(OC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)OCOCCOC)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (6E,10Z)-10-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate C21H28O9
(3aR,4R,6aR,8S,9aR,9bR)-4-hydroxy-3,6,9-trimethylidene-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one C21H28O9
(3S,3aS,9aS,9bS)-3,6-dimethyl-9-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione C21H28O9