Isoquerglanin
[CAS# 143519-53-3]

Identification

• Name: Isoquerglanin
• Synonyms: [(2S,3R,4S,5R,6R)-3,5-Dihydroxy-2-(4-Hydroxy-2-Isopropyl-5-Methyl-Phenoxy)-6-(Hydroxymethyl)Tetrahydropyran-4-Yl] 3,4,5-Trihydroxybenzoate; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4S,5R,6R)-3,5-Dihydroxy-2-(4-Hydroxy-2-Isopropyl-5-Methylphenoxy)-6-(Hydroxymethyl)-4-Tetrahydropyranyl] Ester; 3,4,5-Trihydroxybenzoic Acid [(2S,3R,4S,5R,6R)-3,5-Dihydroxy-2-(4-Hydroxy-2-Isopropyl-5-Methyl-Phenoxy)-6-Methylol-Tetrahydropyran-4-Yl] Ester
• Molecular Formula: C₂₃H₂₈O₁₁
• Molecular Weight: 480.47
• CAS Registry Number: 143519-53-3
• SMILES: [C@H]2([C@H]([C@H](OC1=CC(=C(O)C=C1C(C)C)C)O[C@@H]([C@H]2O)CO)O)OC(C3=CC(=C(C(=C3)O)O)O)=O
• InChI: 1S/C23H28O11/c1-9(2)12-7-13(25)10(3)4-16(12)32-23-20(30)21(19(29)17(8-24)33-23)34-22(31)11-5-14(26)18(28)15(27)6-11/h4-7,9,17,19-21,23-30H,8H2,1-3H3/t17-,19-,20-,21+,23-/m1/s1

Properties

• Density: 1.56g/cm³ (Cal.)
• Boiling point: 805.317°C at 760 mmHg (Cal.)
• Flash point: 276.332°C (Cal.)