3-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[3-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoyl]Oxymethyl]Oxan-2-Yl]Oxybenzoic Acid
[CAS# 142569-83-3]

Identification

• Name: 3-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[3-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxybenzoyl]Oxymethyl]Oxan-2-Yl]Oxybenzoic Acid
• Synonyms: 3-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[3-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzoyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Benzoic Acid; 3-Methoxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[[3-Methyl-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-Oxomethoxy]Methyl]-2-Tetrahydropyranyl]Oxy]Benzoic Acid; 3-Methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-[[3-Methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzoyl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-Benzoic Acid
• Molecular Formula: C₂₈H₃₄O₁₆
• Molecular Weight: 626.57
• CAS Registry Number: 142569-83-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)COC(=O)C3=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)C(=C3)C)OC4=CC=C(C=C4OC)C(=O)O
• InChI: 1S/C28H34O16/c1-11-7-13(4-5-14(11)41-27-23(34)21(32)19(30)17(9-29)43-27)26(38)40-10-18-20(31)22(33)24(35)28(44-18)42-15-6-3-12(25(36)37)8-16(15)39-2/h3-8,17-24,27-35H,9-10H2,1-2H3,(H,36,37)/t17-,18-,19-,20-,21+,22+,23-,24-,27-,28-/m1/s1
• InChIKey: PHSXNKUCYFWOAY-OKNYKLPDSA-N

Properties

• Density: 1.562g/cm³ (Cal.)
• Boiling point: 895.311°C at 760 mmHg (Cal.)
• Flash point: 291.586°C (Cal.)