Scopoletin beta-D-Glucuronide
[CAS# 132752-65-9]

Identification

• Name: Scopoletin beta-D-Glucuronide
• Synonyms: Scopoletin ¦Â-D-Glucuronide; Scopoletin β-D-Glucuronide
• Molecular Formula: C₁₆H₁₆O₁₀
• Molecular Weight: 368.29
• CAS Registry Number: 132752-65-9
• SMILES: COc1cc2ccc(=O)oc2cc1O[C@H]3[C@H]([C@H]([C@@H](C(O3)C(=O)O)O)O)O
• InChI: 1S/C16H16O10/c1-23-8-4-6-2-3-10(17)24-7(6)5-9(8)25-16-13(20)11(18)12(19)14(26-16)15(21)22/h2-5,11-14,16,18-20H,1H3,(H,21,22)/t11-,12-,13-,14?,16+/m0/s1
• InChIKey: UTTLUAQBFYOVMO-GBRSARRQSA-N

Properties

• Density: 1.66g/cm³ (Cal.)
• Boiling point: 706.484°C at 760 mmHg (Cal.)
• Flash point: 262.284°C (Cal.)
• Refractive index: 1.661 (Cal.)