3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one 基本信息
| 中文名称 | 3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one |
|---|---|
| 中文同义词 | 3-[[3-乙酰基-2,4,6-三羟基-5-(3-甲基-2-丁烯-1-基)苯基]甲基]-6-乙基-4-羟基-5-甲基-2H-吡喃-2-酮 |
| 英文名称 | 3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one |
| 英文同义词 | 3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one;Homoarenol;3-[[3-Acetyl-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one;Arzanol;2H-Pyran-2-one, 3-[[3-acetyl-2,4,6-trihydroxy-5-(3-methyl-2-buten-1-yl)phenyl]methyl]-6-ethyl-4-hydroxy-5-methyl-;Arzanol from Helichrysum italicum, >=98% |
| CAS号 | 32274-52-5 |
| 分子式 | C22H26O7 |
| 分子量 | 402.44 |
| EINECS号 | |
| 相关类别 | 药物新试剂 |
| Mol文件 | 32274-52-5.mol |
| 结构式 | ![3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one 结构式](CAS/GIF/32274-52-5.gif) |
3-[4-Acetyl-2,3,6-trihydroxy-5-(3-methyl-2-butenyl)benzyl]-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one 性质
| 熔点 | 146 °C(Solvent: Chloroform; Diethyl ether) |
|---|---|
| 沸点 | 632.435±55.00 °C(Press: 760.00 Torr)(predicted) |
| 密度 | 1.307±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| 储存条件 | -20°C |
| 形态 | powder |
| 酸度系数(pKa) | 5.575±0.50(predicted) |
| 生物来源 | Helichrysum italicum |
| 主要应用 | 代谢组学 维生素、营养保健品和天然产品 |
| InChI | 1S/C22H26O7/c1-6-16-11(4)18(24)15(22(28)29-16)9-14-19(25)13(8-7-10(2)3)20(26)17(12(5)23)21(14)27/h7,24-27H,6,8-9H2,1-5H3 |
| InChIKey | ZOIAPLVBZQQHCG-UHFFFAOYSA-N |
| SMILES | OC1=C(CC2=C(O)C(C)=C(CC)OC2=O)C(O)=C(C(C)=O)C(O)=C1CC=C(C)C |
安全信息
| WGK Germany | 3 |
|---|---|
| 存储类别 | 11 - 可燃固体 |