[(2S,3R,4S,5R,6R)-5-Hydroxy-2,3-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]-6-[(3,4,5-Trihydroxybenzoyl)Oxymethyl]Oxan-4-Yl] 3,4,5-Trihydroxybenzoate
[CAS# 79886-50-3]

Identification

• Name: [(2S,3R,4S,5R,6R)-5-Hydroxy-2,3-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]-6-[(3,4,5-Trihydroxybenzoyl)Oxymethyl]Oxan-4-Yl] 3,4,5-Trihydroxybenzoate
• Synonyms: [(2S,3R,4S,5R,6R)-5-Hydroxy-2,3-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]-6-[(3,4,5-Trihydroxybenzoyl)Oxymethyl]Tetrahydropyran-4-Yl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4S,5R,6R)-5-Hydroxy-2,3-Bis[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-6-[[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]Methyl]-4-Tetrahydropyranyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4S,5R,6R)-5-Hydroxy-2,3-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]-6-[(3,4,5-Trihydroxybenzoyl)Oxymethyl]Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₃₄H₂₈O₂₂
• Molecular Weight: 788.58
• CAS Registry Number: 79886-50-3
• SMILES: [C@H]1([C@H]([C@H](O)[C@H](O[C@H]1OC(C2=CC(=C(O)C(=C2)O)O)=O)COC(C3=CC(=C(C(=C3)O)O)O)=O)OC(C4=CC(=C(O)C(=C4)O)O)=O)OC(C5=CC(=C(O)C(=C5)O)O)=O
• InChI: 1S/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8-13/h1-8,22,27-29,34-47H,9H2/t22-,27-,28+,29-,34+/m1/s1
• InChIKey: RATQVALKDAUZBW-XPMKZLBQSA-N

Properties

• Density: 2.023g/cm³ (Cal.)
• Boiling point: 1240.779°C at 760 mmHg (Cal.)
• Flash point: 388.637°C (Cal.)