3,5-Bis(beta-D-Glucopyranosyloxy)-7-Hydroxy-2-(4-Hydroxyphenyl)-1-Benzopyrylium Chloride (1:1)
[CAS# 17334-58-6]

Identification

• Classification: Organic raw materials >> Carboxylic compounds and derivatives >> Salt of carboxylic acid ester and its derivatives
• Name: 3,5-Bis(beta-D-Glucopyranosyloxy)-7-Hydroxy-2-(4-Hydroxyphenyl)-1-Benzopyrylium Chloride (1:1)
• Synonyms: (2S,3R,4S,5S,6R)-2-[7-Hydroxy-2-(4-Hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromenylium-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride; (2S,3R,4S,5S,6R)-2-[[7-Hydroxy-2-(4-Hydroxyphenyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Chromenyliumyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol Chloride; (2S,3R,4S,5S,6R)-2-[[7-Hydroxy-2-(4-Hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1-Benzopyrylium-3-Yl]Oxy]-6-Methylol-Tetrahydropyran-3,4,5-Triol Chloride
• Molecular Formula: C₂₇H₃₁ClO₁₅
• Molecular Weight: 630.99
• CAS Registry Number: 17334-58-6
• EINECS: 241-360-0
• SMILES: [O+]1=C4C(=CC(=C1C2=CC=C(O)C=C2)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C(=CC(=C4)O)O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO.[Cl-]
• InChI: 1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1
• InChIKey: DIRROHKULXIUCB-DHJOXOLYSA-N

References

• (1): Marcel Albrecht, Oliver Schneider and Andreas Schmidt. Redox active donor-substituted punicin derivatives, Org. Biomol. Chem., 2009, 7, 1445.