(3R,5R)-4-[3,5-Dihydroxy-4-(3,4,5-Trihydroxybenzoyl)Oxybenzoyl]Oxy-1-Hydroxy-3,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid
[CAS# 123134-19-0]

Identification

• Name: (3R,5R)-4-[3,5-Dihydroxy-4-(3,4,5-Trihydroxybenzoyl)Oxybenzoyl]Oxy-1-Hydroxy-3,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid
• Synonyms: (3R,5R)-4-[3,5-Dihydroxy-4-(3,4,5-Trihydroxybenzoyl)Oxy-Benzoyl]Oxy-1-Hydroxy-3,5-Bis[(3,4,5-Trihydroxybenzoyl)Oxy]Cyclohexane-1-Carboxylic Acid; (3R,5R)-4-[[3,5-Dihydroxy-4-[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]Phenyl]-Oxomethoxy]-1-Hydroxy-3,5-Bis[Oxo-(3,4,5-Trihydroxyphenyl)Methoxy]-1-Cyclohexanecarboxylic Acid; (3R,5R)-4-[3,5-Dihydroxy-4-(3,4,5-Trihydroxyphenyl)Carbonyloxy-Phenyl]Carbonyloxy-1-Hydroxy-3,5-Bis[(3,4,5-Trihydroxyphenyl)Carbonyloxy]Cyclohexane-1-Carboxylic Acid
• Molecular Formula: C₃₅H₂₈O₂₂
• Molecular Weight: 800.59
• CAS Registry Number: 123134-19-0
• SMILES: [C@H]5(OC(=O)C1=CC(=C(O)C(=C1)O)O)C(OC(=O)C3=CC(=C(OC(=O)C2=CC(=C(O)C(=C2)O)O)C(=C3)O)O)[C@H](OC(=O)C4=CC(=C(O)C(=C4)O)O)CC(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(55-31(48)12-3-17(38)26(45)18(39)4-12)29(23)57-33(50)14-7-21(42)28(22(43)8-14)56-32(49)13-5-19(40)27(46)20(41)6-13/h1-8,23-24,29,36-46,53H,9-10H2,(H,51,52)/t23-,24-,29?,35?/m1/s1
• InChIKey: IUPQNOUMMBZOED-JHZIIMIVSA-N