2-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chromen-8-Yl]-1,4,8-Trihydroxy-6-Methoxyxanthen-9-One
[CAS# 155740-03-7]

Identification

• Name: 2-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Chromen-8-Yl]-1,4,8-Trihydroxy-6-Methoxyxanthen-9-One
• Synonyms: 2-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Chromen-8-Yl]-1,4,8-Trihydroxy-6-Methoxy-Xanthen-9-One; 2-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Oxo-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]-8-Chromenyl]-1,4,8-Trihydroxy-6-Methoxy-9-Xanthenone; 2-[2-(3,4-Dihydroxyphenyl)-5,7-Dihydroxy-4-Keto-6-[(2S,3R,4R,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Chromen-8-Yl]-1,4,8-Trihydroxy-6-Methoxy-Xanthone
• Molecular Formula: C₃₅H₂₈O₁₇
• Molecular Weight: 720.60
• CAS Registry Number: 155740-03-7
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C3=C(O)C(=C2OC(=CC(=O)C2=C3O)C4=CC=C(O)C(=C4)O)C7=C(O)C5=C(OC6=C(C5=O)C(=CC(=C6)OC)O)C(=C7)O
• InChI: 1S/C35H28O17/c1-49-11-5-15(39)22-19(6-11)51-33-17(41)7-12(26(42)24(33)29(22)45)21-28(44)25(35-32(48)31(47)27(43)20(9-36)52-35)30(46)23-16(40)8-18(50-34(21)23)10-2-3-13(37)14(38)4-10/h2-8,20,27,31-32,35-39,41-44,46-48H,9H2,1H3/t20-,27-,31+,32-,35+/m1/s1
• InChIKey: JAANJQNFIJSRTK-KYRPIRIWSA-N

Properties

• Density: 1.786g/cm³ (Cal.)
• Boiling point: 1158.799°C at 760 mmHg (Cal.)
• Flash point: 369.288°C (Cal.)