(4-Chlorophenyl)(4-(beta-D-Glucopyranosyloxy)Phenyl)Methanone Hemihydrate
[CAS# 83355-63-9]

Identification

• Name: (4-Chlorophenyl)(4-(beta-D-Glucopyranosyloxy)Phenyl)Methanone Hemihydrate
• Synonyms: (4-Chlorophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]Methanone; (4-Chlorophenyl)-[4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]Methanone; (4-Chlorophenyl)-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]Methanone
• Molecular Formula: C₁₉H₁₉ClO₇
• Molecular Weight: 394.81
• CAS Registry Number: 83355-63-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)OC3=CC=C(C(=O)C2=CC=C(Cl)C=C2)C=C3
• InChI: 1S/C19H19ClO7/c20-12-5-1-10(2-6-12)15(22)11-3-7-13(8-4-11)26-19-18(25)17(24)16(23)14(9-21)27-19/h1-8,14,16-19,21,23-25H,9H2/t14-,16-,17+,18-,19-/m1/s1
• InChIKey: FHGFQMNKMSEOMB-IQZDNPOKSA-N