18,19-DIHYDRORIFAMPICIN

71397-49-4

MFCD01750067

C43 H60 N4 O12

824.963

InChI=1S/C43H60N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h13-14,19-21,23-25,29,34-35,39,49-53H,11-12,15-18H2,1-10H3,(H,45,55)/b19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

InChIKey=ZSRVKBSPKWYZMC-YLTMQCCVSA-N

Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](CC/C=C(\C(=O)Nc(c2O)c(c3O)/C=N/N5CCN(CC5)C)/C)C)O)C)O)C)OC(=O)C)C)OC)C)O

H bond donor:6

H bond acceptor:16

XLogP3:4.0

Bulk/Fine:F