5,7-Dihydroxy-3-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxyoxan-2-Yl]Oxy-2-(4-Hydroxyphenyl)Chromen-4-One
[CAS# 134953-94-9]

Identification

• Name: 5,7-Dihydroxy-3-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxyoxan-2-Yl]Oxy-2-(4-Hydroxyphenyl)Chromen-4-One
• Synonyms: 5,7-Dihydroxy-3-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(4-Hydroxyphenyl)Chromen-4-One; 5,7-Dihydroxy-3-[[(2R,3R,4S,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2-(4-Hydroxyphenyl)-4-Chromenone; 5,7-Dihydroxy-3-[(2R,3R,4S,5S,6R)-5-Hydroxy-6-Methylol-4-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-2-(4-Hydroxyphenyl)Chromone
• Molecular Formula: C₃₃H₄₀O₂₀
• Molecular Weight: 756.67
• CAS Registry Number: 134953-94-9
• SMILES: [C@H]5(O[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C)[C@@H](OC3=C(OC2=CC(=CC(=C2C3=O)O)O)C4=CC=C(O)C=C4)O[C@@H]([C@H](O)[C@@H]5O[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)CO
• InChI: 1S/C33H40O20/c1-10-19(39)23(43)25(45)31(47-10)53-30-28(51-32-26(46)24(44)20(40)16(8-34)49-32)21(41)17(9-35)50-33(30)52-29-22(42)18-14(38)6-13(37)7-15(18)48-27(29)11-2-4-12(36)5-3-11/h2-7,10,16-17,19-21,23-26,28,30-41,43-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21-,23+,24-,25+,26+,28-,30+,31-,32+,33+/m0/s1
• InChIKey: ZOSYTGZBPSTVGJ-HHYFVRIJSA-N

Properties

• Density: 1.797g/cm³ (Cal.)
• Boiling point: 1094.082°C at 760 mmHg (Cal.)
• Flash point: 344.107°C (Cal.)