Khelloside
[CAS# 17226-75-4]

Identification

• Name: Khelloside
• Synonyms: 4-Methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Pyrano[3,2-F]Benzofuran-5-One; 4-Methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-5-Pyrano[3,2-F]Benzofuranone; 4-Methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]Pyrano[3,2-F]Benzofuran-5-One
• Molecular Formula: C₁₉H₂₀O₁₀
• Molecular Weight: 408.36
• CAS Registry Number: 17226-75-4
• EINECS: 241-263-3
• SMILES: [C@@H]4([C@H](OCC2=CC(C1=C(C3=C(C=C1O2)OC=C3)OC)=O)O[C@@H]([C@@H](O)[C@@H]4O)CO)O
• InChI: 1S/C19H20O10/c1-25-18-9-2-3-26-11(9)5-12-14(18)10(21)4-8(28-12)7-27-19-17(24)16(23)15(22)13(6-20)29-19/h2-5,13,15-17,19-20,22-24H,6-7H2,1H3/t13-,15-,16+,17-,19-/m1/s1
• InChIKey: SJRACCTZSAUMGO-WIMVFMHDSA-N

Properties

• Density: 1.604g/cm³ (Cal.)
• Boiling point: 665.805°C at 760 mmHg (Cal.)
• Flash point: 356.466°C (Cal.)