5-Ethenyl-4-(2,3,4,9-Tetrahydro-1H-Pyrido[3,4-b]Indol-1-Ylmethyl)-6-[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxy-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid
[CAS# 156431-08-2]

Identification

• Name: 5-Ethenyl-4-(2,3,4,9-Tetrahydro-1H-Pyrido[3,4-b]Indol-1-Ylmethyl)-6-[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxymethyl]Oxan-2-Yl]Oxy-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid
• Synonyms: 4-(2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Ylmethyl)-6-[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid; 4-(2,3,4,9-Tetrahydro-1H-Pyrido[3,4-B]Indol-1-Ylmethyl)-6-[[3,4,5-Trihydroxy-6-[[3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-2-Tetrahydropyranyl]Oxy]-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid; 4-(2,3,4,9-Tetrahydro-1H-$B-Carbolin-1-Ylmethyl)-6-[3,4,5-Trihydroxy-6-[(3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl)Oxymethyl]Tetrahydropyran-2-Yl]Oxy-5-Vinyl-5,6-Dihydro-4H-Pyran-3-Carboxylic Acid
• Molecular Formula: C₃₂H₄₂N₂O₁₄
• Molecular Weight: 678.69
• CAS Registry Number: 156431-08-2
• SMILES: C1=CC=CC6=C1C5=C(C(CC4C(=COC(OC2C(C(O)C(C(O2)COC3C(C(O)C(C(O3)CO)O)O)O)O)C4C=C)C(=O)O)NCC5)[NH]6
• InChI: 1S/C32H42N2O14/c1-2-13-16(9-19-22-15(7-8-33-19)14-5-3-4-6-18(14)34-22)17(29(42)43)11-44-30(13)48-32-28(41)26(39)24(37)21(47-32)12-45-31-27(40)25(38)23(36)20(10-35)46-31/h2-6,11,13,16,19-21,23-28,30-41H,1,7-10,12H2,(H,42,43)
• InChIKey: CTPVWRJHVRXFPI-UHFFFAOYSA-N

Properties

• Density: 1.59g/cm³ (Cal.)
• Boiling point: 960.977°C at 760 mmHg (Cal.)
• Flash point: 534.979°C (Cal.)