(1R,3R,4S,5R)-3-[3,5-Dihydroxy-4-(3,4,5-Trihydroxybenzoyl)Oxybenzoyl]Oxy-1-Hydroxy-4,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid
[CAS# 123134-20-3]

Identification

• Name: (1R,3R,4S,5R)-3-[3,5-Dihydroxy-4-(3,4,5-Trihydroxybenzoyl)Oxybenzoyl]Oxy-1-Hydroxy-4,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid
• Synonyms: (1R,3R,4S,5R)-3-[3,5-Dihydroxy-4-(3,4,5-Trihydroxybenzoyl)Oxy-Benzoyl]Oxy-1-Hydroxy-4,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid; (1R,3R,4S,5R)-3-[[3,5-Dihydroxy-4-[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]Phenyl]-Oxomethoxy]-1-Hydroxy-4,5-Bis[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-1-Cyclohexanecarboxylic Acid; (1R,3R,4S,5R)-3-[3,5-Dihydroxy-4-(3,4,5-Trihydroxyphenyl)Carbonyloxy-Phenyl]Carbonyloxy-1-Hydroxy-4,5-Bis[(3,4,5-Trihydroxyphenyl)Carbonyloxy]Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₃₅H₂₈O₂₂
• Molecular Weight: 800.59
• CAS Registry Number: 123134-20-3
• SMILES: [C@@]5(O)(C[C@@H](OC(=O)C2=CC(=C(OC(=O)C1=CC(=C(O)C(=C1)O)O)C(=C2)O)O)[C@@H](OC(=O)C3=CC(=C(O)C(=C3)O)O)[C@H](OC(=O)C4=CC(=C(O)C(=C4)O)O)C5)C(=O)O
• InChI: 1S/C35H28O22/c36-15-1-11(2-16(37)25(15)44)30(47)54-23-9-35(53,34(51)52)10-24(29(23)57-33(50)13-5-19(40)27(46)20(41)6-13)55-31(48)14-7-21(42)28(22(43)8-14)56-32(49)12-3-17(38)26(45)18(39)4-12/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29+,35-/m1/s1
• InChIKey: OFTCZZCLDWTQNJ-JUUXLJTDSA-N

Properties

• Density: 2.023g/cm³ (Cal.)
• Boiling point: 1264.062°C at 760 mmHg (Cal.)
• Flash point: 393.959°C (Cal.)