(2R,3R,4S,5S,6R)-2-[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl]Oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
[CAS# 134515-72-3]

Identification

• Name: (2R,3R,4S,5S,6R)-2-[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychroman-3-Yl]Oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxane-3,4,5-Triol
• Synonyms: (2R,3R,4S,5S,6R)-2-[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chroman-3-Yl]Oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-Chromanyl]Oxy]-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5S,6R)-2-[(2S,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chroman-3-Yl]Oxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₂₇H₃₄O₁₆
• Molecular Weight: 614.56
• CAS Registry Number: 134515-72-3
• SMILES: [C@H]4(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](OC3=CC(=CC(=C3C4)O)O)C5=CC=C(O)C(=C5)O
• InChI: 1S/C27H34O16/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9/h1-5,16-38H,6-8H2/t16-,17-,18-,19-,20-,21+,22+,23-,24-,25+,26+,27-/m1/s1
• InChIKey: WQZUHCMKCSWRNS-MHAQCJASSA-N

Properties

• Density: 1.793g/cm³ (Cal.)
• Boiling point: 982.751°C at 760 mmHg (Cal.)
• Flash point: 548.148°C (Cal.)