7-[(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-5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Chromen-4-One
[CAS# 137809-96-2]

Identification

• Name: 7-[(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-5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)Chromen-4-One
• Synonyms: 7-[(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-5-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)Chromen-4-One; 7-[[(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]-5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-4-Chromenone; 7-[(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-5-Hydroxy-2-(4-Hydroxy-3-Methoxy-Phenyl)Chromone
• Molecular Formula: C₂₈H₃₂O₁₆
• Molecular Weight: 624.55
• CAS Registry Number: 137809-96-2
• SMILES: [C@@H]1([C@@H](O[C@@H]([C@H]([C@H]1O)O)CO)OC2=CC3=C(C(=C2)O)C(C=C(O3)C4=CC=C(O)C(=C4)OC)=O)O[C@H]5[C@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O
• InChI: 1S/C28H32O16/c1-39-16-4-10(2-3-12(16)31)15-7-14(33)20-13(32)5-11(6-17(20)41-15)40-28-26(24(37)22(35)19(9-30)43-28)44-27-25(38)23(36)21(34)18(8-29)42-27/h2-7,18-19,21-32,34-38H,8-9H2,1H3/t18-,19-,21-,22-,23+,24-,25+,26-,27+,28-/m1/s1
• InChIKey: PRAAWOPIZHEJGG-OFPXXEJZSA-N

Properties

• Density: 1.739g/cm³ (Cal.)
• Boiling point: 976.015°C at 760 mmHg (Cal.)
• Flash point: 320.5°C (Cal.)