Isorutarin
[CAS# 53846-51-8]

Identification

• Name: Isorutarin
• Synonyms: (2R)-9-Hydroxy-2-[1-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Ethyl]-2,3-Dihydrofuro[3,2-G]Chromen-7-One; (2R)-9-Hydroxy-2-[1-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Ethyl]-2,3-Dihydrofuro[3,2-G]Chromen-7-One; (2R)-9-Hydroxy-2-[1-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Ethyl]-2,3-Dihydrofuro[3,2-G]Chromen-7-One
• Molecular Formula: C₂₀H₂₄O₁₀
• Molecular Weight: 424.40
• CAS Registry Number: 53846-51-8
• SMILES: [C@H]1(OC2=C(C1)C=C3C(=C2O)OC(=O)C=C3)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)(C)C
• InChI: 1S/C20H24O10/c1-20(2,30-19-15(25)14(24)13(23)10(7-21)27-19)11-6-9-5-8-3-4-12(22)29-17(8)16(26)18(9)28-11/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3/t10-,11-,13-,14+,15-,19+/m1/s1
• InChIKey: QZUDEXAHKXCIDG-NUUDRHLNSA-N

Properties

• Density: 1.593g/cm³ (Cal.)
• Boiling point: 690.691°C at 760 mmHg (Cal.)
• Flash point: 245.113°C (Cal.)