3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(alpha-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
[CAS# 130603-71-3]

Identification

• Name: 3-((O-6-Deoxy-alpha-L-mannopyranosyl-(1-6)-O-(alpha-D-glucopyranosyl-(1-4))-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
• Synonyms: 2-(3,4-Dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-Chromen-4-One; 2-(3,4-Dihydroxyphenyl)-3-[[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-5-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-5,7-Dihydroxy-4-Chromenone; 2-(3,4-Dihydroxyphenyl)-3-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-5,7-Dihydroxy-Chromone
• Molecular Formula: C₃₃H₄₀O₂₁
• Molecular Weight: 772.67
• CAS Registry Number: 130603-71-3
• SMILES: [C@@H]5(OC2=C(OC1=CC(=CC(=C1C2=O)O)O)C3=CC=C(O)C(=C3)O)O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)[C@H](O)[C@H]5O)CO[C@@H]6O[C@H]([C@H](O)[C@@H](O)[C@H]6O)C
• InChI: 1S/C33H40O21/c1-9-19(39)22(42)25(45)31(49-9)48-8-17-29(53-32-26(46)23(43)20(40)16(7-34)51-32)24(44)27(47)33(52-17)54-30-21(41)18-14(38)5-11(35)6-15(18)50-28(30)10-2-3-12(36)13(37)4-10/h2-6,9,16-17,19-20,22-27,29,31-40,42-47H,7-8H2,1H3/t9-,16+,17+,19-,20+,22+,23-,24+,25+,26+,27+,29+,31+,32+,33-/m0/s1
• InChIKey: PFPQMWRASYNLMZ-LGIMBNBCSA-N

Properties

• Density: 1.85g/cm³ (Cal.)
• Boiling point: 1134.094°C at 760 mmHg (Cal.)
• Flash point: 355.621°C (Cal.)