7-[(2-O-D-Apio-beta-D-Furanosyl-beta-D-Glucopyranosyl)Oxy]-5-Hydroxy-3-(4-Methoxyphenyl)-4H-1-Benzopyran-4-One
[CAS# 15914-68-8]

Identification

• Name: 7-[(2-O-D-Apio-beta-D-Furanosyl-beta-D-Glucopyranosyl)Oxy]-5-Hydroxy-3-(4-Methoxyphenyl)-4H-1-Benzopyran-4-One
• Synonyms: 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)Tetrahydrofuran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-3-(4-Methoxyphenyl)Chromen-4-One; 7-[[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-(Hydroxymethyl)-2-Tetrahydrofuranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-5-Hydroxy-3-(4-Methoxyphenyl)-4-Chromenone; 7-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-Dihydroxy-4-Methylol-Tetrahydrofuran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-5-Hydroxy-3-(4-Methoxyphenyl)Chromone
• Molecular Formula: C₂₇H₃₀O₁₄
• Molecular Weight: 578.53
• CAS Registry Number: 15914-68-8
• SMILES: [C@@]1(O)([C@@H](O)[C@@H](OC1)OC[C@H]5O[C@@H](OC2=CC(=C3C(=C2)OC=C(C3=O)C4=CC=C(OC)C=C4)O)[C@H](O)[C@@H](O)[C@@H]5O)CO
• InChI: 1S/C27H30O14/c1-36-13-4-2-12(3-5-13)15-8-37-17-7-14(6-16(29)19(17)20(15)30)40-25-23(33)22(32)21(31)18(41-25)9-38-26-24(34)27(35,10-28)11-39-26/h2-8,18,21-26,28-29,31-35H,9-11H2,1H3/t18-,21-,22+,23-,24+,25-,26-,27-/m1/s1
• InChIKey: VGKGODYADVWBQB-NRIIMPDMSA-N

Properties

• Density: 1.664g/cm³ (Cal.)
• Boiling point: 906.825°C at 760 mmHg (Cal.)
• Flash point: 302.18°C (Cal.)