2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Chromen-4-One
[CAS# 76135-83-6]

Identification

• Name: 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy]Chromen-4-One
• Synonyms: 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Chromen-4-One; 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7,8-Bis[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Chromone
• Molecular Formula: C₂₇H₃₀O₁₇
• Molecular Weight: 626.52
• CAS Registry Number: 76135-83-6
• SMILES: [C@@H]5(OC2=C1OC(=CC(=O)C1=C(O)C=C2O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C4=CC=C(O)C(=C4)O)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
• InChI: 1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)41-14-5-12(33)17-11(32)4-13(8-1-2-9(30)10(31)3-8)40-25(17)24(14)44-27-23(39)21(37)19(35)16(7-29)43-27/h1-5,15-16,18-23,26-31,33-39H,6-7H2/t15-,16-,18-,19-,20+,21+,22-,23-,26-,27+/m1/s1
• InChIKey: IUPCXAQYIYDXBJ-TUTGZWPLSA-N

Properties

• Density: 1.797g/cm³ (Cal.)
• Boiling point: 1059.546°C at 760 mmHg (Cal.)
• Flash point: 348.999°C (Cal.)