Columbianetin Glucopyranoside
[CAS# 55836-35-6]

Identification

• Name: Columbianetin Glucopyranoside
• Synonyms: (8S)-8-[1-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Ethyl]-8,9-Dihydrofuro[2,3-H]Chromen-2-One; (8S)-8-[1-Methyl-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Ethyl]-8,9-Dihydrofuro[2,3-H]Chromen-2-One; (8S)-8-[1-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Ethyl]-8,9-Dihydrofuro[2,3-H]Chromen-2-One
• Molecular Formula: C₂₀H₂₄O₉
• Molecular Weight: 408.40
• CAS Registry Number: 55836-35-6
• SMILES: [C@@H]1([C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)OC([C@H]2OC4=C(C2)C3=C(C=CC(O3)=O)C=C4)(C)C
• InChI: 1S/C20H24O9/c1-20(2,29-19-17(25)16(24)15(23)12(8-21)27-19)13-7-10-11(26-13)5-3-9-4-6-14(22)28-18(9)10/h3-6,12-13,15-17,19,21,23-25H,7-8H2,1-2H3/t12-,13+,15-,16+,17-,19+/m1/s1
• InChIKey: UCJHITBUIWHISE-GGECFJTPSA-N

Properties

• Density: 1.515g/cm³ (Cal.)
• Boiling point: 664.7°C at 760 mmHg (Cal.)
• Flash point: 236.598°C (Cal.)