(2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chroman-4-One
[CAS# 112494-39-0]

Identification

• Name: (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chroman-4-One
• Synonyms: (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Chroman-4-One; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-4-Chromanone; (2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5,7-Trihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Chroman-4-One
• Molecular Formula: C₂₁H₂₂O₁₂
• Molecular Weight: 466.40
• CAS Registry Number: 112494-39-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C3=C(O)C=C2O[C@@H]([C@@H](O)C(=O)C2=C3O)C4=CC=C(O)C(=C4)O
• InChI: 1S/C21H22O12/c22-5-11-14(26)17(29)19(31)21(33-11)12-9(25)4-10-13(15(12)27)16(28)18(30)20(32-10)6-1-2-7(23)8(24)3-6/h1-4,11,14,17-27,29-31H,5H2/t11-,14-,17+,18+,19-,20-,21+/m1/s1
• InChIKey: OSFCFXQMAHURHU-FWCPWLSYSA-N

Properties

• Density: 1.791g/cm³ (Cal.)
• Boiling point: 914.739°C at 760 mmHg (Cal.)
• Flash point: 320.887°C (Cal.)