Daidzein-4,7-Diglucoside
[CAS# 53681-67-7]

Identification

• Name: Daidzein-4,7-Diglucoside
• Synonyms: 7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxyphenyl]Chromen-4-One; 7-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[4-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Phenyl]-4-Chromenone; 7-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxyphenyl]Chromone
• Molecular Formula: C₂₇H₃₀O₁₄
• Molecular Weight: 578.53
• CAS Registry Number: 53681-67-7
• SMILES: [C@@H]5(OC1=CC=C2C(=C1)OC=C(C2=O)C4=CC=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)C=C4)O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO
• InChI: 1S/C27H30O14/c28-8-17-20(31)22(33)24(35)26(40-17)38-12-3-1-11(2-4-12)15-10-37-16-7-13(5-6-14(16)19(15)30)39-27-25(36)23(34)21(32)18(9-29)41-27/h1-7,10,17-18,20-29,31-36H,8-9H2/t17-,18-,20-,21-,22+,23+,24-,25-,26-,27-/m1/s1
• InChIKey: VWEWSCDQMVNOJP-IPOZFMEPSA-N

Properties

• Density: 1.637g/cm³ (Cal.)
• Boiling point: 902.981°C at 760 mmHg (Cal.)
• Flash point: 300.88°C (Cal.)