22,23-DIHYDRO-5-O-DEMETHYL-26-((2-METHOXYETHOXY)METHOXY) AVERMECTIN A1A

156153-56-9

MFCD01757273

C52 H82 O17

979.203

InChI=1S/C52H82O17/c1-11-29(2)47-32(5)17-18-51(69-47)25-38-22-37(68-51)16-15-31(4)46(66-43-24-41(59-10)48(34(7)64-43)67-42-23-40(58-9)44(53)33(6)63-42)30(3)13-12-14-36-27-62-49-45(54)35(26-61-28-60-20-19-57-8)21-39(50(55)65-38)52(36,49)56/h12-15,21,29-30,32-34,37-49,53-54,56H,11,16-20,22-28H2,1-10H3/b13-12+,31-15+,36-14+/t29-,30-,32-,33-,34-,37+,38-,39-,40-,41-,42-,43-,44-,45+,46-,47+,48-,49+,51+,52+/m0/s1

InChIKey=LRCJTKFGIGIPAE-WVCPODIMSA-N

CC[C@H](C)[C@@H]1[C@H](CC[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)COCOCCOC)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)O)OC)OC)\C)C

H bond donor:3

H bond acceptor:17

XLogP3:0.0

Bulk/Fine:F