(3R)-羟基奎宁

128439-47-4

MFCD00884689

C46 H57 N O18

911.945

InChI=1S/C46H57NO18/c1-17-33(49)26(57-8)15-29(61-17)64-41-19(3)60-27(16-44(41,5)47-7)21-11-12-22-30(36(21)52)37(53)31-23(35(22)51)13-24(32-25(48)14-28(63-39(31)32)45(6)20(4)65-45)46(56,43(55)59-10)42-38(54)40(58-9)34(50)18(2)62-42/h11-14,17-20,26-27,29,33-34,38,40-42,47,49-50,52,54,56H,15-16H2,1-10H3/t17-,18-,19+,20?,26+,27-,29-,33-,34-,38+,40-,41-,42+,44+,45?,46?/m1/s1

InChIKey=RQNWQOXKBDZHHK-IAIAFCRMSA-N

C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@@H](O[C@H](C[C@]2(C)NC)c3ccc4c(c3O)C(=O)c5c(cc(c6c5oc(cc6=O)C7(C(O7)C)C)C([C@@H]8[C@H]([C@@H]([C@@H]([C@H](O8)C)O)OC)O)(C(=O)OC)O)C4=O)C)OC)O

氢键供体数量:6

氢键受体数量:19

XLogP3:2.0

Bulk/Fine:F