ERYTHROMYCIN 2'-(2-FURANCARBOXYLATE)

60847-79-2

MFCD01729131

C42 H69 N O15

827.999

InChI=1S/C42H69NO15/c1-14-29-42(10,50)34(45)23(4)31(44)21(2)19-40(8,49)36(58-39-33(27(43(11)12)18-22(3)53-39)57-38(48)28-16-15-17-52-28)24(5)32(25(6)37(47)55-29)56-30-20-41(9,51-13)35(46)26(7)54-30/h15-17,21-27,29-30,32-36,39,45-46,49-50H,14,18-20H2,1-13H3/t21-,22-,23+,24+,25-,26+,27+,29-,30+,32+,33-,34-,35+,36-,39+,40-,41-,42-/m1/s1

InChIKey=QROHAOJHNFJBJL-IQYKLAEZSA-N

CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)c4ccco4)(C)O)C)C)O)(C)O

pro_donors:4

pro_acceptors:16

XLogP3:2.0

Bulk/Fine:F