[(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxybenzoyl)Oxy-Chroman-8-Yl]-5,7-Dihydroxy-Chroman-3-Yl] 3,4,5-Trihydroxybenzoate
[CAS# 79907-44-1]

Identification

• Name: [(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxybenzoyl)Oxy-Chroman-8-Yl]-5,7-Dihydroxy-Chroman-3-Yl] 3,4,5-Trihydroxybenzoate
• Synonyms: [(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxybenzoyl)Oxy-Chroman-8-Yl]-5,7-Dihydroxy-Chroman-3-Yl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-8-Chromanyl]-5,7-Dihydroxy-3-Chromanyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(2R,3R,4R)-2-(3,4-Dihydroxyphenyl)-4-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-3-(3,4,5-Trihydroxybenzoyl)Oxy-Chroman-8-Yl]-5,7-Dihydroxy-Chroman-3-Yl] Ester
• Molecular Formula: C₄₄H₃₄O₂₀
• Molecular Weight: 882.74
• CAS Registry Number: 79907-44-1
• SMILES: [C@@H]6(C1=C(C=C(O)C3=C1O[C@@H]([C@H](OC(C2=CC(=C(O)C(=C2)O)O)=O)C3)C4=CC=C(O)C(=C4)O)O)[C@H]([C@@H](C5=CC=C(O)C(=C5)O)OC7=C6C(=CC(=C7)O)O)OC(C8=CC(=C(O)C(=C8)O)O)=O
• InChI: 1S/C44H34O20/c45-19-11-26(51)34-32(12-19)61-40(16-2-4-22(47)25(50)6-16)42(64-44(60)18-9-30(55)38(58)31(56)10-18)36(34)35-27(52)14-23(48)20-13-33(62-43(59)17-7-28(53)37(57)29(54)8-17)39(63-41(20)35)15-1-3-21(46)24(49)5-15/h1-12,14,33,36,39-40,42,45-58H,13H2/t33-,36-,39-,40-,42-/m1/s1
• InChIKey: KTLUHRSHFRODPS-RIQPQZJCSA-N

Properties

• Density: 1.962g/cm³ (Cal.)
• Boiling point: 1211.72°C at 760 mmHg (Cal.)
• Flash point: 367.355°C (Cal.)