Quercetin-3-O-Neohesperidose
[CAS# 29322-06-3]

Identification

• Name: Quercetin-3-O-Neohesperidose
• Synonyms: 3-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methyl-Tetrahydropyran-4-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chromen-4-One; 3-[[(2R,3R,4R,5R,6R)-6-[[(2R,3S,4R,5S,6S)-3,5-Dihydroxy-2-(Hydroxymethyl)-6-Methyl-4-Tetrahydropyranyl]Oxy]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Chromenone; 3-[(2R,3R,4R,5R,6R)-6-[(2S,3S,4R,5S,6R)-3,5-Dihydroxy-2-Methyl-6-Methylol-Tetrahydropyran-4-Yl]Oxy-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxy-2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-Chromone
• Molecular Formula: C₂₇H₃₀O₁₆
• Molecular Weight: 610.52
• CAS Registry Number: 29322-06-3
• SMILES: [C@@H]5(OC1=C(OC2=C(C1=O)C(=CC(=C2)O)O)C3=CC=C(O)C(=C3)O)O[C@@H](O[C@H]4[C@@H](O)[C@H](O[C@H]([C@@H]4O)C)CO)[C@H](O)[C@@H](O)[C@H]5O
• InChI: 1S/C27H30O16/c1-8-17(33)24(18(34)15(7-28)39-8)41-26-21(37)20(36)22(38)27(43-26)42-25-19(35)16-13(32)5-10(29)6-14(16)40-23(25)9-2-3-11(30)12(31)4-9/h2-6,8,15,17-18,20-22,24,26-34,36-38H,7H2,1H3/t8-,15+,17-,18-,20+,21+,22+,24+,26+,27+/m0/s1
• InChIKey: NBNYGFLJKWYZCH-BXLORXDOSA-N

Properties

• Density: 1.827g/cm³ (Cal.)
• Boiling point: 1004.004°C at 760 mmHg (Cal.)
• Flash point: 332.215°C (Cal.)