1-(4-Methyl-9H-Pyrido[3,4-b]Indol-1-Yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxypropan-1-One
[CAS# 152752-60-8]

Identification

• Name: 1-(4-Methyl-9H-Pyrido[3,4-b]Indol-1-Yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyloxan-2-Yl]Oxypropan-1-One
• Synonyms: 1-(4-Methyl-9H-Pyrido[3,4-B]Indol-1-Yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Propan-1-One; 1-(4-Methyl-9H-Pyrido[3,4-B]Indol-1-Yl)-3-[[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Propan-1-One; 1-(4-Methyl-9H-$B-Carbolin-1-Yl)-3-[(2R,3R,4R,5R,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Propan-1-One
• Molecular Formula: C₂₁H₂₄N₂O₆
• Molecular Weight: 400.43
• CAS Registry Number: 152752-60-8
• SMILES: [C@@H]4([C@H](OCCC(C1=NC=C(C2=C1[NH]C3=C2C=CC=C3)C)=O)O[C@H]([C@H](O)[C@H]4O)C)O
• InChI: 1S/C21H24N2O6/c1-10-9-22-16(17-15(10)12-5-3-4-6-13(12)23-17)14(24)7-8-28-21-20(27)19(26)18(25)11(2)29-21/h3-6,9,11,18-21,23,25-27H,7-8H2,1-2H3/t11-,18-,19+,20+,21+/m0/s1
• InChIKey: FSOBSGJDWJWABF-YOHLVPJJSA-N

Properties

• Density: 1.439g/cm³ (Cal.)
• Boiling point: 696.438°C at 760 mmHg (Cal.)
• Flash point: 374.993°C (Cal.)