Analyte Name

8a-Methoxy Avermectin B1a

Molecular Formula

C49H76O15

Molecular Weight

905.13

Accurate Mass

904.52

SMILES

C/C([C@@H](O[C@@H]1O[C@H]([C@@H]([C@H](C1)OC)O[C@H]2C[C@H](OC)[C@@H](O)[C@H](C)O2)C)[C@H](/C=C/C=C3C(O[C@]4([C@@]\3([C@@]([H])(C=C([C@H]4O)C)C(O[C@H](C[C@]5(O6)O[C@]([C@@]([H])(C)CC)([C@H](CC5)C)[H])C7)=O)O)[H])OC)C)=C\C[C@]76[H]

InChI

InChI=1S/C49H76O15/c1-12-25(2)43-28(5)18-19-48(64-43)24-33-21-32(63-48)17-16-27(4)42(60-39-23-37(55-10)44(31(8)58-39)61-38-22-36(54-9)41(51)30(7)57-38)26(3)14-13-15-34-47(56-11)62-45-40(50)29(6)20-35(46(52)59-33)49(34,45)53/h13-16,20,25-26,28,30-33,35-45,47,50-51,53H,12,17-19,21-24H2,1-11H3/b14-13+,27-16+,34-15+/t25-,26-,28-,30-,31-,32+,33-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47?,48+,49+/m0/s1

IUPAC

(2R,2a'Z,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-((S)-sec-butyl)-2a1',20'-dihydroxy-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2'-methoxy-5,6',8',19'-tetramethyl-2a1',3,4,5,6,6',7',10',11',14',15',17a',20',20a'-tetradecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat