| MDL | MFCD00016778 |
| InChIKey | QJVXKWHHAMZTBY-GCPOEHJPSA-N |
| Inchi | 1S/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3/b4-3+/t12-,13-,14+,15-,17+/m1/s1 |
| SMILES | O1[C@]([H])([C@@]([H])([C@]([H])([C@@]([H])([C@@]1([H])C([H])([H])O[H])O[H])O[H])O[H])OC1C(=C([H])C(/C(/[H])=C(\[H])/C([H])([H])O[H])=C([H])C=1OC([H])([H])[H])OC([H])([H])[H] |
| LogP | -1.11200 |
| PSA | 138.07000 |
| 折射率 | 1.6230 (estimate) |
| 沸点 | 642.6℃ at 760 mmHg |
| 熔点 | 174-177°C |
| 闪点 | 342.4 °C |
| 颜色与性状 | Powder |
| 密度 | 1.2870 (rough estimate) |
| 精确分子量 | 372.14200 |
| 氢键供体数量 | 5 |
| 氢键受体数量 | 9 |
| 可旋转化学键数量 | 7 |
| 同位素质量 | 372.14203234 g/mol |
| 重原子数量 | 26 |
| 复杂度 | 432 |
| 同位素原子数量 | 0 |
| 确定原子立构中心数量 | 5 |
| 不确定原子立构中心数量 | 0 |
| 确定化学键立构中心数量 | 1 |
| 不确定化学键立构中心数量 | 0 |
| 共价键单元数量 | 1 |
| 疏水参数计算参考值（XlogP） | -1.3 |
| 互变异构体数量 | 无 |
| 表面电荷 | 0 |
| 拓扑分子极性表面积 | 138 |
| 分子量 | 372.4 |
| EINECS | 287441 |
| 海关数据 |
中国海关编码：2932999099概述：2932999099. 其他仅含氧杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0% 申报要素：品名, 成分含量, 用途 Summary：2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
| 用途 | 益气健脾，补肾安神。用于脾肾阳虚、体虚乏力、食欲不振、腰膝酸痛、失眠多梦。 |
| 生产方法 | 可由刺五加植物提取而来。 |
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| Beilstein | 97166 |
