硫酸藜芦碱

15585-38-3

MFCD07783444

C36 H51 N O11 . H2 O4 S

771.873

InChI=1S/C36H51NO11.H2O4S/c1-19-6-11-26-31(3,40)35(43)25(17-37(26)16-19)33(42)18-34-24(32(33,41)15-27(35)38)10-9-23-30(34,2)13-12-28(36(23,44)48-34)47-29(39)20-7-8-21(45-4)22(14-20)46-5;1-5(2,3)4/h7-8,14,19,23-28,38,40-44H,6,9-13,15-18H2,1-5H3;(H2,1,2,3,4)/t19-,23+,24-,25-,26-,27-,28-,30-,31+,32+,33+,34+,35-,36-;/m0./s1

InChIKey=CYBKUHWLYCUNKR-XTYXREPLSA-N

C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@H](CC7)OC(=O)c8ccc(c(c8)OC)OC)O)C)O)O)O)(C)O.OS(=O)(=O)O

pro_donors:6

pro_acceptors:12

XLogP3:0.0

Bulk/Fine:F