Analyte Name

4''-Keto-5-O-[(2-propenyloxy)carbonyl]-Abamectin

Molecular Formula

C52 H74 O16

Molecular Weight

955.134

Accurate Mass

954.498

SMILES

CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)C(=O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](OC(=O)OCC=C)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C

InChI

InChI=1S/C52H74O16/c1-12-21-59-50(55)66-46-32(7)22-38-49(54)63-37-23-36(67-51(26-37)20-19-31(6)45(68-51)28(3)13-2)18-17-30(5)44(29(4)15-14-16-35-27-60-48(46)52(35,38)56)64-42-25-40(58-11)47(34(9)62-42)65-41-24-39(57-10)43(53)33(8)61-41/h12,14-17,19-20,22,28-29,31,33-34,36-42,44-48,56H,1,13,18,21,23-27H2,2-11H3/b15-14+,30-17+,35-16+/t28-,29-,31-,33-,34-,36+,37-,38-,39-,40-,41-,42-,44-,45+,46+,47-,48+,51+,52+/m0/s1

IUPAC

[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-24'-hydroxy-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2R,4S,6S)-4-methoxy-6-methyl-5-oxooxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2'-oxospiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-21'-yl] prop-2-enyl carbonate

Alternate CAS Number

160094-12-2 - Defined Structure (from abamectin B1a)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat