4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-5-Methylchromen-2-One
[CAS# 109974-31-4]

Identification

• Name: 4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-5-Methylchromen-2-One
• Synonyms: 4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Methyl-Chromen-2-One; 4-[[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-Methyl-2-Chromenone; 4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Methyl-Coumarin
• Molecular Formula: C₂₂H₂₈O₁₃
• Molecular Weight: 500.46
• CAS Registry Number: 109974-31-4
• SMILES: [C@H]2(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)OC3=CC(OC4=CC=CC(=C34)C)=O
• InChI: 1S/C22H28O13/c1-8-3-2-4-9-14(8)10(5-13(25)31-9)32-21-19(30)17(28)20(12(7-24)34-21)35-22-18(29)16(27)15(26)11(6-23)33-22/h2-5,11-12,15-24,26-30H,6-7H2,1H3/t11-,12-,15-,16+,17-,18-,19-,20-,21-,22+/m1/s1
• InChIKey: HKXDQRBBOHHCKP-KGGQWWQZSA-N

Properties

• Density: 1.658g/cm³ (Cal.)
• Boiling point: 848.869°C at 760 mmHg (Cal.)
• Flash point: 292.506°C (Cal.)