(S)-2-(3,4-Dihydroxyphenyl)-2,3-Dihydro-5-Hydroxy-7 -((4-O-beta-D-Xylopyranosyl-beta-D-Arabinopyranosyl)Oxy)-4H-1-Benzopyran-4-One
[CAS# 81287-62-9]

Identification

• Name: (S)-2-(3,4-Dihydroxyphenyl)-2,3-Dihydro-5-Hydroxy-7 -((4-O-beta-D-Xylopyranosyl-beta-D-Arabinopyranosyl)Oxy)-4H-1-Benzopyran-4-One
• Synonyms: (2S)-2-(3,4-Dihydroxyphenyl)-7-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-Trihydroxytetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-Chroman-4-One; (2S)-2-(3,4-Dihydroxyphenyl)-7-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-[[(2S,3R,4S,5R)-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-4-Chromanone; (2S)-2-(3,4-Dihydroxyphenyl)-7-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-Trihydroxyoxan-2-Yl]Oxy-Oxan-2-Yl]Oxy-5-Hydroxy-Chroman-4-One
• Molecular Formula: C₂₅H₂₈O₁₄
• Molecular Weight: 552.49
• CAS Registry Number: 81287-62-9
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C(=O)C2)O)O[C@@H]4OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]4O)C5=CC=C(O)C(=C5)O
• InChI: 1S/C25H28O14/c26-11-2-1-9(3-12(11)27)16-6-14(29)19-13(28)4-10(5-17(19)38-16)37-24-23(34)21(32)18(8-36-24)39-25-22(33)20(31)15(30)7-35-25/h1-5,15-16,18,20-28,30-34H,6-8H2/t15-,16+,18-,20+,21-,22-,23+,24+,25+/m1/s1
• InChIKey: QORKEHBZQUJPEC-JQKVIMTRSA-N

Properties

• Density: 1.759g/cm³ (Cal.)
• Boiling point: 931.378°C at 760 mmHg (Cal.)
• Flash point: 314.968°C (Cal.)