3-[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxyoxolan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychromen-4-One
[CAS# 35589-21-0]

Identification

• Name: 3-[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxyoxolan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxychromen-4-One
• Synonyms: 3-[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chromen-4-One; 3-[[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Chromenone; 3-[(2S,3R,4R,5S)-5-[(1R)-1,2-Dihydroxyethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chromone
• Molecular Formula: C₂₁H₂₀O₁₂
• Molecular Weight: 464.38
• CAS Registry Number: 35589-21-0
• SMILES: [C@@H]4(OC2=C(OC1=CC(=CC(=C1C2=O)O)O)C3=CC=C(O)C(=C3)O)O[C@H]([C@H](O)[C@H]4O)[C@H](O)CO
• InChI: 1S/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2/t12-,16-,17-,19+,21+/m1/s1
• InChIKey: OPJZLUXFQFQYAI-KHPGOBPMSA-N

Properties

• Density: 1.879g/cm³ (Cal.)
• Boiling point: 916.258°C at 760 mmHg (Cal.)
• Flash point: 322.305°C (Cal.)