5,7-Dihydroxy-3-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Chroman-4-One
[CAS# 160206-04-2]

Identification

• Name: 5,7-Dihydroxy-3-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]Chroman-4-One
• Synonyms: 5,7-Dihydroxy-3-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]Chroman-4-One; 5,7-Dihydroxy-3-[2-Hydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-4-Chromanone; 5,7-Dihydroxy-3-[2-Hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]Chroman-4-One
• Molecular Formula: C₂₁H₂₂O₁₁
• Molecular Weight: 450.40
• CAS Registry Number: 160206-04-2
• SMILES: [C@H]4(OC3=CC=C(C1C(C2=C(OC1)C=C(C=C2O)O)=O)C(=C3)O)[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C21H22O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-1-2-10(12(24)5-9)11-7-30-14-4-8(23)3-13(25)16(14)17(11)26/h1-5,11,15,18-25,27-29H,6-7H2/t11?,15-,18-,19+,20-,21-/m1/s1
• InChIKey: SLPFAONKVXHOCP-KAICPEJPSA-N

Properties

• Density: 1.666g/cm³ (Cal.)
• Boiling point: 776.238°C at 760 mmHg (Cal.)
• Flash point: 274.005°C (Cal.)