1-(4-甲基-9H-吡啶并[3,4-b]吲哚-1-基)-3-[(2R,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基丙-1-酮
[CAS# 152752-60-8]

基本信息

• 产品名称: 1-(4-甲基-9H-吡啶并[3,4-b]吲哚-1-基)-3-[(2R,3R,4R,5R,6S)-3,4,5-三羟基-6-甲基四氢吡喃-2-基]氧基丙-1-酮
• 英文名: 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
• 别名: 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
• 分子式: C₂₁H₂₄N₂O₆
• 分子量: 400.43
• CAS 登录号: 152752-60-8
• 分子行输入简码 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
• 国际化学标识码 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
• 国际化学标识检索码 InChIKey: FSOBSGJDWJWABF-YOHLVPJJSA-N

物理化学性质

• 密度: 1.439g/cm³ （计算值）
• 沸点: 696.438°C at 760 mmHg （计算值）
• 闪点: 374.993°C （计算值）