3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One
[CAS# 142451-65-8]

Identification

• Name: 3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxy-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One
• Synonyms: 3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromen-4-One; 3-[[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-4-Chromenone; 3-[(2S,3R,4R,5R,6S)-4,5-Dihydroxy-6-Methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-2-(4-Hydroxyphenyl)Chromone
• Molecular Formula: C₂₇H₃₀O₁₅
• Molecular Weight: 594.53
• CAS Registry Number: 142451-65-8
• SMILES: [C@@H]4([C@H](OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC=C(O)C=C3)O[C@H]([C@H](O)[C@H]4O)C)O[C@H]5[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O
• InChI: 1S/C27H30O15/c1-9-17(32)21(36)25(42-26-22(37)20(35)18(33)15(8-28)40-26)27(38-9)41-24-19(34)16-13(31)6-12(30)7-14(16)39-23(24)10-2-4-11(29)5-3-10/h2-7,9,15,17-18,20-22,25-33,35-37H,8H2,1H3/t9-,15+,17-,18+,20-,21+,22+,25+,26-,27-/m0/s1
• InChIKey: BCNBWICEIXAVQF-DLVIKRKZSA-N

Properties

• Density: 1.762g/cm³ (Cal.)
• Boiling point: 945.524°C at 760 mmHg (Cal.)
• Flash point: 314.069°C (Cal.)