2-[(Z)-(3,4-Dihydroxyphenyl)Methylene]-4-Hydroxy-6-(beta-D-Glucopyranosyloxy)-3(2H)-Benzofuranone
[CAS# 633-15-8]

Identification

• Name: 2-[(Z)-(3,4-Dihydroxyphenyl)Methylene]-4-Hydroxy-6-(beta-D-Glucopyranosyloxy)-3(2H)-Benzofuranone
• Synonyms: (2Z)-2-[(3,4-Dihydroxyphenyl)Methylene]-4-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Benzofuran-3-One; (2Z)-2-[(3,4-Dihydroxyphenyl)Methylene]-4-Hydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Benzofuranone; (2Z)-2-(3,4-Dihydroxybenzylidene)-4-Hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Benzofuran-3-One
• Molecular Formula: C₂₁H₂₀O₁₁
• Molecular Weight: 448.38
• CAS Registry Number: 633-15-8
• SMILES: [C@H]4(OC1=CC(=C2C(=C1)OC(\C2=O)=C/C3=CC=C(O)C(=C3)O)O)[C@@H]([C@@H](O)[C@@H]([C@H](O4)CO)O)O
• InChI: 1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)30-9-5-12(25)16-13(6-9)31-14(17(16)26)4-8-1-2-10(23)11(24)3-8/h1-6,15,18-25,27-29H,7H2/b14-4-/t15-,18-,19+,20-,21-/m1/s1
• InChIKey: AMJCTDBATIKENQ-YRDFTBLNSA-N

Properties

• Density: 1.75g/cm³ (Cal.)
• Boiling point: 848.259°C at 760 mmHg (Cal.)
• Flash point: 300.315°C (Cal.)