(1S)-7-[(苯甲酰氧基)甲基]-1,4aalpha,5,7aalpha-四氢-5alpha-羟基环戊二烯并[c]吡喃-1-基beta-D-吡喃葡萄糖苷
[CAS# 55785-60-9]

基本信息

• 产品名称: (1S)-7-[(苯甲酰氧基)甲基]-1,4aalpha,5,7aalpha-四氢-5alpha-羟基环戊二烯并[c]吡喃-1-基beta-D-吡喃葡萄糖苷
• 英文名: (1S)-7-[(Benzoyloxy)Methyl]-1,4aalpha,5,7aalpha-Tetrahydro-5alpha-Hydroxycyclopenta[c]Pyran-1-Yl beta-D-Glucopyranoside
• 别名: [(4Ar,7As)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Benzoate; Benzoic Acid [(4Ar,7As)-1-[[(2S,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Ester; Benzoic Acid [(4Ar,7As)-1-[(2S,3R,4R,5S,6S)-3,4,5,6-Tetrahydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-7-Yl]Methyl Ester
• 分子式: C₂₂H₂₆O₁₀
• 分子量: 450.44
• CAS 登录号: 55785-60-9
• 分子行输入简码 SMILES: [C@H]13[C@H](CC=C1COC(=O)C2=CC=CC=C2)C=COC3O[C@H]4O[C@](O)([C@@H](O)[C@H](O)[C@H]4O)CO
• 国际化学标识码 InChI: 1S/C22H26O10/c23-11-22(28)18(26)16(24)17(25)21(32-22)31-20-15-12(8-9-29-20)6-7-14(15)10-30-19(27)13-4-2-1-3-5-13/h1-5,7-9,12,15-18,20-21,23-26,28H,6,10-11H2/t12-,15+,16-,17-,18+,20?,21+,22+/m1/s1
• 国际化学标识检索码 InChIKey: NYNUGFOKJKFILZ-HKKMPEBQSA-N

物理化学性质

• 密度: 1.531g/cm³ （计算值）
• 沸点: 693.671°C at 760 mmHg （计算值）
• 闪点: 241.164°C （计算值）