(2S)-5-Hydroxy-2-[2-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]-7-Methoxychroman-4-One
[CAS# 123914-35-2]

Identification

• Name: (2S)-5-Hydroxy-2-[2-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyphenyl]-7-Methoxychroman-4-One
• Synonyms: (2S)-5-Hydroxy-2-[2-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Phenyl]-7-Methoxy-Chroman-4-One; (2S)-5-Hydroxy-2-[2-Hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-7-Methoxy-4-Chromanone; (2S)-5-Hydroxy-2-[2-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Phenyl]-7-Methoxy-Chroman-4-One
• Molecular Formula: C₂₂H₂₄O₁₁
• Molecular Weight: 464.43
• CAS Registry Number: 123914-35-2
• SMILES: [C@@H]2(OC1=CC(=CC(=C1C(=O)C2)O)OC)C3=C(O)C=CC=C3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO
• InChI: 1S/C22H24O11/c1-30-9-5-11(25)17-12(26)7-15(31-14(17)6-9)18-10(24)3-2-4-13(18)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-6,15-16,19-25,27-29H,7-8H2,1H3/t15-,16+,19+,20-,21+,22+/m0/s1
• InChIKey: KOBUGDLTCAJTND-DOARKGTESA-N

Properties

• Density: 1.569g/cm³ (Cal.)
• Boiling point: 751.536°C at 760 mmHg (Cal.)
• Flash point: 262.14°C (Cal.)