(2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chroman-4-One
[CAS# 3682-03-9]

Identification

• Name: (2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chroman-4-One
• Synonyms: (2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Chroman-4-One; (2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-4-Chromanone; (2S)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Chroman-4-One
• Molecular Formula: C₂₁H₂₂O₁₀
• Molecular Weight: 434.40
• CAS Registry Number: 3682-03-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C3=C(O)C=C2O[C@@H](CC(=O)C2=C3O)C4=CC=C(O)C=C4
• InChI: 1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1
• InChIKey: QKPKGDDHOGIEOO-JVVVWQBKSA-N

Properties

• Density: 1.639g/cm³ (Cal.)
• Boiling point: 824.644°C at 760 mmHg (Cal.)
• Flash point: 292.417°C (Cal.)