InChIKey | PILMPTUAXYPAME-UHFFFAOYSA-N |
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Inchi | 1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h11,15,17-18,21,31H,8-10,12-14H2,1-7H3,(H,36,37) |
SMILES | O=C1C([H])([H])C([H])(C([H])(C([H])([H])[H])C([H])([H])C([H])(C([H])=C(C(=O)O[H])C([H])([H])[H])O[H])C2(C([H])([H])[H])C([H])([H])C(C3=C(C(C([H])([H])C4([H])C(C([H])([H])[H])(C([H])([H])[H])C(C([H])([H])C([H])([H])C43C([H])([H])[H])=O)=O)C21C([H])([H])[H])=O |
溶解度 | Insuluble (1.8E-3 g/L) (25 ºC), |
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颜色与性状 | Powder |
密度 | 1.24±0.1 g/cm3 (20 ºC 760 Torr), |
氢键供体数量 | 2 |
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氢键受体数量 | 7 |
可旋转化学键数量 | 5 |
重原子数量 | 37 |
复杂度 | 1170 |
拓扑分子极性表面积 | 126 |