VOACORINE

5130-80-3

MFCD01722002

C43 H52 N4 O6

720.906

InChI=1S/C43H52N4O6/c1-7-24-21-46(3)35-17-32-25-10-8-9-11-33(25)44-38(32)31(15-28(24)37(35)41(49)52-5)30-16-34-29(18-36(30)51-4)26-12-13-47-20-23-14-27(22(2)48)40(47)43(19-23,39(26)45-34)42(50)53-6/h7-11,16,18,22-23,27-28,31,35,37,40,44-45,48H,12-15,17,19-21H2,1-6H3/b24-7-/t22-,23-,27+,28-,31?,35-,37?,40-,43+/m0/s1

InChIKey=UIEKMUULTFWIHX-AOEZUFBFSA-N

C/C=C\1/CN([C@H]2Cc3c4ccccc4[nH]c3C(C[C@@H]1C2C(=O)OC)c5cc6c(cc5OC)c7c([nH]6)[C@@]8(C[C@@H]9C[C@@H]([C@@H]8N(C9)CC7)[C@H](C)O)C(=O)OC)C

pro_donors:3

pro_acceptors:10

XLogP3:5.0

Bulk/Fine:F