Rhein 8-beta-D-Glucuronide
[CAS# 70793-10-1]

Identification

• Name: Rhein 8-beta-D-Glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[(6-Carboxy-8-Hydroxy-9,10-Dioxo-1-Anthryl)Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[(6-Carboxy-8-Hydroxy-9,10-Dioxo-1-Anthryl)Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[(6-Carboxy-8-Hydroxy-9,10-Diketo-1-Anthryl)Oxy]-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₆O₁₂
• Molecular Weight: 460.35
• CAS Registry Number: 70793-10-1
• SMILES: [C@H]4(OC1=C3C(=CC=C1)C(C2=C(C(=CC(=C2)C(=O)O)O)C3=O)=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)C(=O)O
• InChI: 1S/C21H16O12/c22-9-5-6(19(28)29)4-8-11(9)14(24)12-7(13(8)23)2-1-3-10(12)32-21-17(27)15(25)16(26)18(33-21)20(30)31/h1-5,15-18,21-22,25-27H,(H,28,29)(H,30,31)/t15-,16-,17+,18-,21+/m0/s1
• InChIKey: PCIJYIRYSXMDQB-HUTLKBDOSA-N

Properties

• Density: 1.836g/cm³ (Cal.)
• Boiling point: 910.628°C at 760 mmHg (Cal.)
• Flash point: 322.24°C (Cal.)