长春匹定

68170-69-4

MFCD00866336

C46 H56 N4 O9

808.967

InChI=1S/C46H56N4O9/c1-7-28-20-29-23-45(41(53)57-5,37-31(14-18-48(24-28)25-29)30-12-9-10-13-34(30)47-37)33-21-32-35(22-36(33)56-4)50(26-51)39-44(32)16-19-49-17-11-15-43(8-2,38(44)49)40(59-27(3)52)46(39,55)42(54)58-6/h9-13,15,21-22,26,28-29,38-40,47,55H,7-8,14,16-20,23-25H2,1-6H3/t28-,29+,38-,39+,40+,43+,44+,45-,46-/m0/s1

InChIKey=KLFUUCHXSFIPMH-YBFGSCICSA-N

CC[C@H]1C[C@@H]2C[C@@](c3c(c4ccccc4[nH]3)CCN(C2)C1)(c5cc6c(cc5OC)N([C@@H]7[C@]68CCN9[C@H]8[C@@](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)CC)C=O)C(=O)OC

pro_donors:2

pro_acceptors:13

XLogP3:4.0

Bulk/Fine:F