BATRIDENE

56509-01-4

MFCD01741756

C38 H38 N4 O12

742.734

InChI=1S/C38H38N4O12/c1-11(2)21-15-7-13(5)23(29(45)25(15)17(27(43)31(21)47)9-19-33(49)39-37(53)40-34(19)50)24-14(6)8-16-22(12(3)4)32(48)28(44)18(26(16)30(24)46)10-20-35(51)41-38(54)42-36(20)52/h7-8,11-12,19-20,43-48H,9-10H2,1-6H3,(H2,39,40,49,50,53)(H2,41,42,51,52,54)

InChIKey=NLDXMTHULUKKCA-UHFFFAOYSA-N

Cc1cc2c(c(c(c(c2C(C)C)O)O)CC3C(=O)NC(=O)NC3=O)c(c1c4c(cc5c(c4O)c(c(c(c5C(C)C)O)O)CC6C(=O)NC(=O)NC6=O)C)O

pro_donors:10

pro_acceptors:16

XLogP3:5.0

Bulk/Fine:F