2-beta-D-Glucopyranosyl-1,3,6-Trihydroxy-5-Methoxy-9H-Xanthen-9-One
[CAS# 51419-56-8]

Identification

• Name: 2-beta-D-Glucopyranosyl-1,3,6-Trihydroxy-5-Methoxy-9H-Xanthen-9-One
• Synonyms: 1,3,6-Trihydroxy-5-Methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Xanthen-9-One; 1,3,6-Trihydroxy-5-Methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-9-Xanthenone; 1,3,6-Trihydroxy-5-Methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Xanthone
• Molecular Formula: C₂₀H₂₀O₁₁
• Molecular Weight: 436.37
• CAS Registry Number: 51419-56-8
• SMILES: [C@@H]4(C3=C(C1=C(OC2=C(C1=O)C=CC(=C2OC)O)C=C3O)O)O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO
• InChI: 1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14-,16+,17-,20+/m1/s1
• InChIKey: MTQVPZUZBBTLNO-HSLVGEKZSA-N

Properties

• Density: 1.713g/cm³ (Cal.)
• Boiling point: 830.16°C at 760 mmHg (Cal.)
• Flash point: 296.122°C (Cal.)