InChIKey | VBGDQDJVTLQGNO-JXLWEQSJSA-N |
Inchi | 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/h15-16,18,21H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,21+,28+,29-,30+/m1/s1 |
SMILES | C[C@H](CC(=O)C[C@@H](C)C(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC3=O |
氢键供体数量 | 1 |
氢键受体数量 | 7 |
可旋转化学键数量 | 6 |
重原子数量 | 37 |
熔点 | 120-122 ºC |
溶解度 | Insuluble (2.9E-3 g/L) (25 ºC), |
密度 | 1.22±0.1 g/cm3 (20 ºC 760 Torr), |
SMILES:OC(=O)[C@H](C)CC(=O)C[C@@H](C)[C@@H]1[C@]2(C)[C@](C(=O)C1)(C)C3=C(C(=O)C2)[C@]4(C)[C@@H](CC3=O)C(C)(C)C(=O)CC4
ExSMILES:512.2775
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分子式:FormulaHtmlC30H40O7