3-(3-羟基-2-十八碳-9-烯氧代-丙氧基)丙烷-1,2-二醇

127985-24-4

MFCD00890726

C41 H46 N2 O18

854.81

InChI=1S/C41H46N2O18/c1-12-7-19-25(32(50)22(12)38(54)42-13(2)39(55)56)24-17(10-18-26(33(24)51)29(47)16-8-15(57-6)9-20(44)23(16)28(18)46)30(48)36(19)60-41-35(53)37(27(43(4)5)14(3)59-41)61-40-34(52)31(49)21(45)11-58-40/h7-10,13-14,21,27,30-31,34-37,40-41,44-45,48-53H,11H2,1-6H3,(H,42,54)(H,55,56)/t13-,14-,21-,27+,30+,31+,34-,35-,36+,37+,40+,41+/m1/s1

InChIKey=VMZLKUVXZLGMLL-CGWZNCMFSA-N

Cc1cc2c(c(c1C(=O)N[C@H](C)C(=O)O)O)-c3c(cc4c(c3O)C(=O)c5cc(cc(c5C4=O)O)OC)[C@@H]([C@H]2O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)C)N(C)C)O[C@H]7[C@@H]([C@H]([C@@H](CO7)O)O)O)O)O

pro_donors:10

pro_acceptors:20

XLogP3:3.0

Bulk/Fine:F