(7-Hydroxy-4-Oxochromen-3-Yl) (2S,3S,4S,5R,6R)-5-(3,4-Dihydroxyphenyl)-2,3,4,5-Tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxane-2-Carboxylate
[CAS# 77154-70-2]

Identification

• Name: (7-Hydroxy-4-Oxochromen-3-Yl) (2S,3S,4S,5R,6R)-5-(3,4-Dihydroxyphenyl)-2,3,4,5-Tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxane-2-Carboxylate
• Synonyms: (7-Hydroxy-4-Oxo-Chromen-3-Yl) (2S,3S,4S,5R,6R)-5-(3,4-Dihydroxyphenyl)-2,3,4,5-Tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Carboxylate; (2S,3S,4S,5R,6R)-5-(3,4-Dihydroxyphenyl)-2,3,4,5-Tetrahydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyrancarboxylic Acid (7-Hydroxy-4-Oxo-3-Chromenyl) Ester; (2S,3S,4S,5R,6R)-5-(3,4-Dihydroxyphenyl)-2,3,4,5-Tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Carboxylic Acid (7-Hydroxy-4-Keto-Chromen-3-Yl) Ester
• Molecular Formula: C₂₇H₂₈O₁₈
• Molecular Weight: 640.51
• CAS Registry Number: 77154-70-2
• SMILES: [C@@]1(O)([C@@H](O[C@@](O)([C@@H](O)[C@@H]1O)C(OC3=COC2=CC(=CC=C2C3=O)O)=O)O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)C5=CC=C(O)C(=C5)O
• InChI: 1S/C27H28O18/c28-7-15-18(33)19(34)20(35)23(42-15)44-25-26(39,9-1-4-12(30)13(31)5-9)21(36)22(37)27(40,45-25)24(38)43-16-8-41-14-6-10(29)2-3-11(14)17(16)32/h1-6,8,15,18-23,25,28-31,33-37,39-40H,7H2/t15-,18+,19+,20-,21+,22+,23+,25-,26-,27+/m1/s1
• InChIKey: GYYXDIJLARMBGR-VWALGMAWSA-N

Properties

• Density: 1.951g/cm³ (Cal.)
• Boiling point: 1001.687°C at 760 mmHg (Cal.)
• Flash point: 330.1°C (Cal.)