(2S)-2-(4-(Beta-D-Glucopyranosyloxy)Phenyl)-2,3-Dihydro-5,7-Dihydroxy-4H-1-Benzopyran-4-One
[CAS# 81202-36-0]

Identification

• Name: (2S)-2-(4-(Beta-D-Glucopyranosyloxy)Phenyl)-2,3-Dihydro-5,7-Dihydroxy-4H-1-Benzopyran-4-One
• Synonyms: (2S)-5,7-Dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]Chroman-4-One; (2S)-5,7-Dihydroxy-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-4-Chromanone; (2S)-5,7-Dihydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]Chroman-4-One
• Molecular Formula: C₂₁H₂₂O₁₀
• Molecular Weight: 434.40
• CAS Registry Number: 81202-36-0
• SMILES: [C@H]4(OC3=CC=C([C@@H]1CC(C2=C(O1)C=C(C=C2O)O)=O)C=C3)[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-3-1-9(2-4-11)14-7-13(25)17-12(24)5-10(23)6-15(17)30-14/h1-6,14,16,18-24,26-28H,7-8H2/t14-,16+,18+,19-,20+,21+/m0/s1
• InChIKey: KSDSYIXRWHRPMN-SFTVRKLSSA-N

Properties

• Density: 1.597g/cm³ (Cal.)
• Boiling point: 780.81°C at 760 mmHg (Cal.)
• Flash point: 276.893°C (Cal.)