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Product Overview

Product Code

TRC-E520506

CAS Number

121124-29-6

Product Format

Neat

Molecular Formula

C49 H75 N O13

Molecular Weight

886.1187

Product Categories

TRC, Pesticide & Metabolite Reference Materials and Research Chemicals , Pesticide and Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials

Product Type

Contaminant

Documentation

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Product Information

Chemical Data

Analyte Name

Emamectin B1a

CAS Number

121124-29-6

Molecular Formula

C49 H75 N O13

Molecular Weight

886.1187

Accurate Mass

885.5238

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@H](NC)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C

InChI

InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,48+,49+/m0/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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