3-(4-Hydroxyphenyl)-5-Methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
[CAS# 128856-77-9]

Identification

• Name: 3-(4-Hydroxyphenyl)-5-Methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxychromen-4-One
• Synonyms: 3-(4-Hydroxyphenyl)-5-Methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Chromen-4-One; 3-(4-Hydroxyphenyl)-5-Methoxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4-Chromenone; 3-(4-Hydroxyphenyl)-5-Methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Chromone
• Molecular Formula: C₂₂H₂₂O₁₀
• Molecular Weight: 446.41
• CAS Registry Number: 128856-77-9
• SMILES: [C@H]4(OC3=CC1=C(C(C(=CO1)C2=CC=C(O)C=C2)=O)C(=C3)OC)[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C22H22O10/c1-29-14-6-12(31-22-21(28)20(27)19(26)16(8-23)32-22)7-15-17(14)18(25)13(9-30-15)10-2-4-11(24)5-3-10/h2-7,9,16,19-24,26-28H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1
• InChIKey: KSVVGBSBNPMXJF-RECXWPGBSA-N

Properties

• Density: 1.546g/cm³ (Cal.)
• Boiling point: 770.965°C at 760 mmHg (Cal.)
• Flash point: 271.283°C (Cal.)