丁香苦甙
[CAS# 29118-80-7]

基本信息

• 产品名称: 丁香苦甙
• 英文名: Syringopicroside
• 别名: 2-(4-Hydroxyphenyl)Ethyl (1S,4As,7R,7As)-7-Methyl-6-Oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4A,5,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylate; (1S,4As,7R,7As)-7-Methyl-6-Oxo-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4A,5,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid 2-(4-Hydroxyphenyl)Ethyl Ester; (1S,4As,7R,7As)-6-Keto-7-Methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4A,5,7,7A-Tetrahydro-1H-Cyclopenta[D]Pyran-4-Carboxylic Acid 2-(4-Hydroxyphenyl)Ethyl Ester
• 分子式: C₂₄H₃₀O₁₁
• 分子量: 494.49
• CAS 登录号: 29118-80-7
• 分子行输入简码 SMILES: [C@@H]23C(=CO[C@@H](O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)[C@@H]2[C@@H](C)C(C3)=O)C(=O)OCCC4=CC=C(C=C4)O
• 国际化学标识码 InChI: 1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1
• 国际化学标识检索码 InChIKey: VBXLWOOOZVFVNF-MUNFHUKUSA-N

物理化学性质

• 密度: 1.497g/cm³ （计算值）
• 沸点: 756.868°C at 760 mmHg （计算值）
• 闪点: 257.506°C （计算值）