3-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3S,4S,5S,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# 137830-19-4]

Identification

• Name: 3-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3S,4S,5S,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: 3-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[(2S,3S,4S,5S,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; 3-[[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5-Hydroxy-7-Methoxy-4-Chromenone; 3-[(2S,3R,4R,5S,6R)-4,5-Dihydroxy-6-Methylol-3-[(2S,3S,4S,5S,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: 137830-19-4
• SMILES: [C@@H]5(O[C@H]4[C@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)OC)O)C3=CC=C(O)C(=C3)O)O[C@@H]([C@@H](O)[C@H]4O)CO)O[C@@H]([C@@H](O)[C@H](O)[C@@H]5O)CO
• InChI: 1S/C28H32O17/c1-40-10-5-13(33)17-14(6-10)41-24(9-2-3-11(31)12(32)4-9)25(20(17)36)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: CEZKIFXYWPTANH-ZJFPABROSA-N

Properties

• Density: 1.799g/cm³ (Cal.)
• Boiling point: 1025.512°C at 760 mmHg (Cal.)
• Flash point: 335.552°C (Cal.)