1-Hydroxy-3,4-Dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyxanthen-9-One
[CAS# 76907-78-3]

Identification

• Name: 1-Hydroxy-3,4-Dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyxanthen-9-One
• Synonyms: 1-Hydroxy-3,4-Dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Xanthen-9-One; 1-Hydroxy-3,4-Dimethoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-9-Xanthenone; 1-Hydroxy-3,4-Dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Xanthone
• Molecular Formula: C₂₁H₂₂O₁₁
• Molecular Weight: 450.40
• CAS Registry Number: 76907-78-3
• SMILES: [C@H]4(OC3=CC1=C(OC2=C(C1=O)C(=CC(=C2OC)OC)O)C=C3)[C@H](O)[C@@H](O)[C@H](O)[C@H](O4)CO
• InChI: 1S/C21H22O11/c1-28-12-6-10(23)14-15(24)9-5-8(3-4-11(9)31-20(14)19(12)29-2)30-21-18(27)17(26)16(25)13(7-22)32-21/h3-6,13,16-18,21-23,25-27H,7H2,1-2H3/t13-,16-,17+,18-,21-/m1/s1
• InChIKey: AVZPRERNBNKYMD-GUFUGUNKSA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 781.202°C at 760 mmHg (Cal.)
• Flash point: 275.782°C (Cal.)