(4''R)-4''-(ACETYLAMINO)-5-O-DEMETHYL-4''-DEOXY-26-METHOXYAVERMECTIN A1A

156153-52-5

MFCD01757268

C51 H77 N O15

944.161

InChI=1S/C51H77NO15/c1-12-27(2)46-30(5)18-19-50(67-46)24-37-21-36(66-50)17-16-29(4)45(28(3)14-13-15-35-26-60-48-44(54)34(25-57-9)20-38(49(55)63-37)51(35,48)56)64-42-23-40(59-11)47(32(7)62-42)65-41-22-39(58-10)43(31(6)61-41)52-33(8)53/h13-16,18-20,27-28,30-32,36-48,54,56H,12,17,21-26H2,1-11H3,(H,52,53)/b14-13+,29-16+,35-15+/t27-,28-,30-,31-,32-,36+,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,47-,48+,50+,51+/m0/s1

InChIKey=UKBRLBORLOJJOH-UYTOXORTSA-N

CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)COC)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)\C)C

H bond donor:3

H bond acceptor:16

XLogP3:0.0

Bulk/Fine:F