Scutellarein-7beta-D-glucuronide
[CAS# 676536-34-8]

Identification

• Name: Scutellarein-7beta-D-glucuronide
• Synonyms: (2S,3S,4S,5R,6S)-6-[5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-Chromen-7-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid; (2S,3S,4S,5R,6S)-6-[[5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Oxo-7-Chromenyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyrancarboxylic Acid; (2S,3S,4S,5R,6S)-6-[5,6-Dihydroxy-2-(4-Hydroxyphenyl)-4-Keto-Chromen-7-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Carboxylic Acid
• Molecular Formula: C₂₁H₁₈O₁₂
• Molecular Weight: 462.37
• CAS Registry Number: 676536-34-8
• SMILES: [C@@H]4(O[C@@H](OC2=C(C(=C1C(C=C(OC1=C2)C3=CC=C(C=C3)O)=O)O)O)[C@@H]([C@H]([C@@H]4O)O)O)C(=O)O
• InChI: 1S/C21H18O12/c22-8-3-1-7(2-4-8)10-5-9(23)13-11(31-10)6-12(14(24)15(13)25)32-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-22,24-28H,(H,29,30)/t16-,17-,18+,19-,21+/m0/s1
• InChIKey: DJSISFGPUUYILV-ZFORQUDYSA-N

Properties

• Density: 1.811g/cm³ (Cal.)
• Boiling point: 891.584°C at 760 mmHg (Cal.)
• Flash point: 314.865°C (Cal.)