3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)Chromen-4-One
[CAS# 145937-28-6]

Identification

• Name: 3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)Chromen-4-One
• Synonyms: 3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxy-Phenyl)Chromen-4-One; 3-[[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxyphenyl)-4-Chromenone; 3-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-2-(3-Hydroxy-4-Methoxy-Phenyl)Chromone
• Molecular Formula: C₂₈H₃₂O₁₇
• Molecular Weight: 640.55
• CAS Registry Number: 145937-28-6
• SMILES: [C@@H]4(OC2=C(OC1=CC(=CC(=C1C2=O)O)O)C3=CC=C(OC)C(=C3)O)O[C@@H]([C@H](O)[C@H](O)[C@H]4O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)CO)CO
• InChI: 1S/C28H32O17/c1-40-13-3-2-9(4-11(13)32)24-25(20(36)17-12(33)5-10(31)6-14(17)41-24)44-28-26(22(38)19(35)16(8-30)43-28)45-27-23(39)21(37)18(34)15(7-29)42-27/h2-6,15-16,18-19,21-23,26-35,37-39H,7-8H2,1H3/t15-,16-,18-,19+,21+,22+,23-,26-,27+,28+/m1/s1
• InChIKey: QWTDVAZCZORTDT-QBUVXBDPSA-N

Properties

• Density: 1.799g/cm³ (Cal.)
• Boiling point: 1006.105°C at 760 mmHg (Cal.)
• Flash point: 329.273°C (Cal.)