6-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxychromen-4-One
[CAS# 77139-23-2]

Identification

• Name: 6-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxychromen-4-One
• Synonyms: 6-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-Chromen-4-One; 6-[[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4-Chromenone; 6-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-Chromone
• Molecular Formula: C₂₈H₃₂O₁₇
• Molecular Weight: 640.55
• CAS Registry Number: 77139-23-2
• SMILES: [C@@H]4(OC2=C(OC)C=C1OC(=CC(=O)C1=C2O)C3=CC=C(O)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/c1-40-15-6-14-18(12(33)5-13(41-14)9-2-3-10(31)11(32)4-9)21(36)25(15)44-28-26(23(38)20(35)17(8-30)43-28)45-27-24(39)22(37)19(34)16(7-29)42-27/h2-6,16-17,19-20,22-24,26-32,34-39H,7-8H2,1H3/t16-,17-,19+,20-,22+,23+,24-,26-,27+,28+/m1/s1
• InChIKey: NZZVKCWBVUOTBN-BHECJLDLSA-N

Properties

• Density: 1.8g/cm³ (Cal.)
• Boiling point: 1013.319°C at 760 mmHg (Cal.)
• Flash point: 331.612°C (Cal.)