InChIKey | AXBJYHWXSQPRFA-CPCOBTRLSA-N |
---|---|
Inchi | 1S/C49H78O18/c1-22(2)18-25-19-49(59,44(58)63-25)27-12-16-47(8)26(27)10-11-31-46(7)15-14-32(45(5,6)30(46)13-17-48(31,47)9)65-43-40(67-42-38(57)36(55)33(52)23(3)62-42)39(35(54)29(64-43)21-60-24(4)50)66-41-37(56)34(53)28(51)20-61-41/h18,23,25-43,51-57,59H,10-17,19-21H2,1-9H3/t23-,25-,26+,27-,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38+,39-,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1 |
SMILES | C[C@@]12CC[C@H]([C@]3(C(=O)O[C@@H](/C=C(\C)/C)C3)O)[C@H]1CC[C@@H]1[C@]3(CC[C@H](O[C@@H]4O[C@H](COC(=O)C)[C@@H](O)[C@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@@]21C)C |
沸点 | 979.8±65.0 °C(Predicted) |
---|---|
酸度系数(pKa) | 12.69±0.70(Predicted) |
密度 | 1.36±0.1 g/cm3(Predicted) |