3-(beta-D-Glucopyranosyloxy)-1-Hydroxy-7-Methoxy-9H-Xanthen-9-One
[CAS# 68325-59-7]

Identification

• Name: 3-(beta-D-Glucopyranosyloxy)-1-Hydroxy-7-Methoxy-9H-Xanthen-9-One
• Synonyms: 1-Hydroxy-7-Methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Xanthen-9-One; 1-Hydroxy-7-Methoxy-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-9-Xanthenone; 1-Hydroxy-7-Methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Xanthone
• Molecular Formula: C₂₀H₂₀O₁₀
• Molecular Weight: 420.37
• CAS Registry Number: 68325-59-7
• SMILES: [C@H]4(OC3=CC1=C(C(C2=C(O1)C=CC(=C2)OC)=O)C(=C3)O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C20H20O10/c1-27-8-2-3-12-10(4-8)16(23)15-11(22)5-9(6-13(15)29-12)28-20-19(26)18(25)17(24)14(7-21)30-20/h2-6,14,17-22,24-26H,7H2,1H3/t14-,17-,18+,19-,20-/m1/s1
• InChIKey: DTOIUXRIJVTQEO-LWUBGYQZSA-N

Properties

• Density: 1.598g/cm³ (Cal.)
• Boiling point: 762.708°C at 760 mmHg (Cal.)
• Flash point: 273.445°C (Cal.)