79786-00-8

Basic information

• Product Name: casuarictin
• Synonyms: casuarictin;(3,4,5-Trihydroxybenzoyl)2-O,3-O:4-O,6-O-bis[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)dicarbonyl]-β-D-glucopyranoside;2-O,3-O:4-O,6-O-Bis[(4,4',5,5',6,6'-hexahydroxy-1,1'-biphenyl-2,2'-diyl)biscarbonyl]-β-D-glucopyranose 1-(3,4,5-trihydroxybenzoate);3,4,5-Trihydroxybenzoyl 2-O,3-O:4-O,6-O-bis[(4,4',5,5',6,6'-hexahydroxybiphenyl-2,2'-diyl)biscarbonyl]-β-D-glucopyranoside;Galloyl pedunculagin
• CAS NO: 79786-00-8
• Molecular Formula: C₄₁H₂₈O₂₆
• Molecular Weight: 936.64542
• Mol File: 79786-00-8.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 1662.7±65.0 °C(Predicted)
• Appearance: /
• Density: 2.23±0.1 g/cm3(Predicted)
• PKA: 7.54±0.40(Predicted)
• CAS DataBase Reference: casuarictin(CAS DataBase Reference)
• NIST Chemistry Reference: casuarictin(79786-00-8)
• EPA Substance Registry System: casuarictin(79786-00-8)

Safety Data

• Hazardous Substances Data: 79786-00-8(Hazardous Substances Data)

Downstream Products

• 92627-28-6 C₅₆H₅₈O₂₆ 
• 92627-28-6 pentadeca-O-methylpotentilin 
• 84316-77-8 1-O-galloyl-2,3-O-<(S)-hexahydroxydiphenoyl>-α-D-glucose 
• 476-66-4 ellagic acid 
• 149-91-7 3,4,5-trihydroxybenzoic acid 
• 83541-38-2 2,3-O-4,4′,5,5′,6,6′-hexahydroxydiphenoyl-β-D-glucose 
• 83541-37-1 2,3-O-4,4′,5,5′,6,6′-hexahydroxydiphenoyl-α-D-glucose 
• 84316-77-8 β-1-O-galloyl-2,3-(S)-hexahydroxydiphenoyl-D-glucose 
• 517-46-4 strictinin 
• 113866-64-1 pedunculagin 

Relevant articles and documents

Non-Enzymatic Oxidation of a Pentagalloylglucose Analogue into Members of the Ellagitannin Family

The occurrence of more than 1000 structurally diverse ellagitannins has been hypothesized to begin with the oxidation of penta-O-galloyl-β-d-glucose (β-PGG) for the coupling of the galloyl groups. However, the non-enzymatic behavior of β-PGG in the oxidation is unknown. Disclosed herein is which galloyl groups tended to couple and which axial chirality was predominant in the derived hexahydroxydiphenoyl groups when an analogue of β-PGG was subjected to oxidation. The galloyl groups coupled in the following order: at the 4,6-, 1,6-, 1,2-, 2,3-, and 3,6-positions with respective S-, S-, R-, S-, and R-axial chirality. Among them, the most preferred 4,6-coupling reflected the what was observed for natural ellagitannins. A new finding was that the second best coupling occured at the 1,6-positions. With the detection of a 3,6-coupled product, this work demonstrated that even ellagitannin skeletons with an axial-rich glucose core may be generated non-enzymatically.