Monotropein
[CAS# 5945-50-6]

Identification

• Classification: Biochemical >> Chinese herbal medicine ingredients
• Name: Monotropein
• Synonyms: (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid
• Molecular Formula: C₁₆H₂₂O₁₁
• Molecular Weight: 390.34
• CAS Registry Number: 5945-50-6
• SMILES: C1=C[C@@]([C@@H]2[C@H]1C(=CO[C@H]2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)O)(CO)O

Properties

• Solubility: 1e+006 mg/L (25 °C water)
• Density: 1.7±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.686, Calc.^*
• Melting point: 272.73 °C
• Boiling Point: 717.6±60.0 °C (760 mmHg), Calc.^*, 628.72 °C
• Flash Point: 262.0±26.4 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H315-H319-H335
• Safety Statements: P261-P264-P270-P301+P312-P302+P352-P305+P351+P338