3-[2,3-Dihydro-6-Hydroxy-2-(1-Hydroxy-1-Methylethyl)Benzofuran-5-Yl]-8-(beta-D-Glucopyranosyl)-2,3-Dihydro-5,7-Dihydroxy-4H-1-Benzopyran-4-One
[CAS 37376-13-9]

Identification

• Name: 3-[2,3-Dihydro-6-Hydroxy-2-(1-Hydroxy-1-Methylethyl)Benzofuran-5-Yl]-8-(beta-D-Glucopyranosyl)-2,3-Dihydro-5,7-Dihydroxy-4H-1-Benzopyran-4-One
• Synonyms: 5,7-Dihydroxy-3-[6-Hydroxy-2-(1-Hydroxy-1-Methyl-Ethyl)-2,3-Dihydrobenzofuran-5-Yl]-8-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Chroman-4-One; 5,7-Dihydroxy-3-[6-Hydroxy-2-(1-Hydroxy-1-Methylethyl)-2,3-Dihydrobenzofuran-5-Yl]-8-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-4-Chromanone; 5,7-Dihydroxy-3-[6-Hydroxy-2-(1-Hydroxy-1-Methyl-Ethyl)-2,3-Dihydrobenzofuran-5-Yl]-8-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Chroman-4-One
• Molecular Formula: C₂₆H₃₀O₁₂
• Molecular Weight: 534.52
• CAS Registry Number: 37376-13-9
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C5=C4OCC(C3=C(O)C=C2OC(CC2=C3)C(O)(C)C)C(=O)C4=C(O)C=C5O
• InChI: 1S/C26H30O12/c1-26(2,35)17-4-9-3-10(12(28)6-15(9)37-17)11-8-36-24-18(20(11)31)13(29)5-14(30)19(24)25-23(34)22(33)21(32)16(7-27)38-25/h3,5-6,11,16-17,21-23,25,27-30,32-35H,4,7-8H2,1-2H3/t11?,16-,17?,21-,22+,23-,25+/m1/s1
• InChIKey: FBAPMDCZDDOJRF-VEWMLLAHSA-N

Properties

• Density: 1.608g/cm³ (Cal.)
• Boiling point: 801.585°C at 760 mmHg (Cal.)
• Flash point: 269.841°C (Cal.)