二羟毒伞素
[CAS# 53568-33-5]

基本信息

• 产品名称: 二羟毒伞素
• 英文名: Viroidin
• 别名: 12-(2,3-Dihydroxy-2-Methyl-Propyl)-22,23-Dihydroxy-6-(1-Hydroxyethyl)-3-(Hydroxymethyl)-9-Isopropyl-18-Methyl-15-[(2-Methylsulfonyl-1H-Indol-3-Yl)Methyl]-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; 12-(2,3-Dihydroxy-2-Methylpropyl)-22,23-Dihydroxy-6-(1-Hydroxyethyl)-3-(Hydroxymethyl)-9-Isopropyl-18-Methyl-15-[(2-Methylsulfonyl-1H-Indol-3-Yl)Methyl]-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone; 12-(2,3-Dihydroxy-2-Methyl-Propyl)-22,23-Dihydroxy-6-(1-Hydroxyethyl)-9-Isopropyl-15-[(2-Mesyl-1H-Indol-3-Yl)Methyl]-18-Methyl-3-Methylol-1,4,7,10,13,16,19-Heptazabicyclo[19.3.0]Tetracosane-2,5,8,11,14,17,20-Heptone
• 分子式: C₃₈H₅₆N₈O₁₅S
• 分子量: 896.97
• CAS 登录号: 53568-33-5
• 分子行输入简码 SMILES: C1=CC=CC2=C1C(=C([S](=O)(=O)C)[NH]2)CC3NC(=O)C(NC(=O)C4N(C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC3=O)CC(O)(CO)C)C(C)C)C(O)C)CO)CC(O)C4O)C
• 国际化学标识码 InChI: 1S/C38H56N8O15S/c1-16(2)26-33(55)45-27(18(4)49)34(56)42-24(14-47)37(58)46-13-25(50)29(51)28(46)35(57)39-17(3)30(52)40-22(31(53)41-23(32(54)44-26)12-38(5,59)15-48)11-20-19-9-7-8-10-21(19)43-36(20)62(6,60)61/h7-10,16-18,22-29,43,47-51,59H,11-15H2,1-6H3,(H,39,57)(H,40,52)(H,41,53)(H,42,56)(H,44,54)(H,45,55)
• 国际化学标识检索码 InChIKey: GGMBQTGHAVBBST-UHFFFAOYSA-N

物理化学性质

• 密度: 1.525g/cm³ （计算值）
• 沸点: 1446.894°C at 760 mmHg （计算值）
• 闪点: 828.851°C （计算值）