[(2S,3R,4R,4aS,10bR)-3,4,8,10-Tetrahydroxy-9-Methoxy-6-Oxo-3,4,4a,10b-Tetrahydro-2H-Pyrano[5,6-c]Isochromen-2-Yl]Methyl 4-Hydroxy-3,5-Dimethoxybenzoate
[CAS# 126485-47-0]

Identification

• Name: [(2S,3R,4R,4aS,10bR)-3,4,8,10-Tetrahydroxy-9-Methoxy-6-Oxo-3,4,4a,10b-Tetrahydro-2H-Pyrano[5,6-c]Isochromen-2-Yl]Methyl 4-Hydroxy-3,5-Dimethoxybenzoate
• Synonyms: [(2S,3R,4R,4As,10Br)-3,4,8,10-Tetrahydroxy-9-Methoxy-6-Oxo-3,4,4A,10B-Tetrahydro-2H-Pyrano[5,6-C]Isochromen-2-Yl]Methyl 4-Hydroxy-3,5-Dimethoxy-Benzoate; 4-Hydroxy-3,5-Dimethoxybenzoic Acid [(2S,3R,4R,4As,10Br)-3,4,8,10-Tetrahydroxy-9-Methoxy-6-Oxo-3,4,4A,10B-Tetrahydro-2H-Pyrano[5,6-C]Isochromen-2-Yl]Methyl Ester; 4-Hydroxy-3,5-Dimethoxy-Benzoic Acid [(2S,3R,4R,4As,10Br)-3,4,8,10-Tetrahydroxy-6-Keto-9-Methoxy-3,4,4A,10B-Tetrahydro-2H-Pyrano[5,6-C]Isochromen-2-Yl]Methyl Ester
• Molecular Formula: C₂₃H₂₄O₁₃
• Molecular Weight: 508.43
• CAS Registry Number: 126485-47-0
• SMILES: [C@H]12O[C@H]([C@H](O)[C@@H](O)[C@@H]1OC(=O)C3=CC(=C(OC)C(=C23)O)O)COC(=O)C4=CC(=C(O)C(=C4)OC)OC
• InChI: 1S/C23H24O13/c1-31-11-4-8(5-12(32-2)15(11)25)22(29)34-7-13-16(26)18(28)21-20(35-13)14-9(23(30)36-21)6-10(24)19(33-3)17(14)27/h4-6,13,16,18,20-21,24-28H,7H2,1-3H3/t13-,16-,18+,20+,21-/m0/s1
• InChIKey: GXCBETDJJWPGAQ-PCOXRIKQSA-N

Properties

• Density: 1.534g/cm³ (Cal.)
• Boiling point: 789.569°C at 760 mmHg (Cal.)
• Flash point: 271.426°C (Cal.)