ERYTHROMYCIN A 11,12-CARBONATE L-ASPARTATE

55171-82-9

MFCD01729177

C38 H65 N O14 . C4 H7 N O4

893.027

InChI=1S/C38H65NO14.C4H7NO4/c1-14-25-38(10)32(52-35(44)53-38)20(4)27(40)18(2)16-36(8,45)31(51-34-28(41)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-37(9,46-13)30(42)23(7)48-26;5-2(4(8)9)1-3(6)7/h18-26,28-32,34,41-42,45H,14-17H2,1-13H3;2H,1,5H2,(H,6,7)(H,8,9)/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30+,31-,32+,34+,36-,37-,38-;2-/m10/s1

InChIKey=ULTGIAYPXSUURB-ORVCTKOWSA-N

CC[C@@H]1[C@@]2([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]3C[C@@]([C@H]([C@@H](O3)C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)C.C([C@@H](C(=O)O)N)C(=O)O

H bond donor:3

H bond acceptor:15

XLogP3:2.0

Bulk/Fine:F