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Product Overview

Product Code

TRC-N703595

CAS Number

252575-85-2

Product Format

Neat

Molecular Formula

C40H62N2O11

Molecular Weight

746.94

API Family

Spinosyn

Product Categories

TRC, Nitrosamine Reference Materials, Impurity Reference Materials

Product Type

Impurity

Documentation

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Product Information

Chemical Data

Analyte Name

N-Nitroso Desmethyl-spinosyn Factor A

CAS Number

252575-85-2

Molecular Formula

C40H62N2O11

Molecular Weight

746.94

Accurate Mass

746.44

SMILES

O=C([C@@H]([C@H](CCC[C@@H](O1)CC)O[C@@H]2O[C@@H]([C@H](CC2)N(C)N=O)C)C)C3=CC(C(C=CC4C5)C3CC1=O)C4C[C@@H]5O[C@@H]6[C@@H](OC)[C@@H](OC)[C@H](OC)[C@@H](C)O6

InChI

InChI=1S/C40H62N2O11/c1-9-25-11-10-12-33(53-35-16-15-32(22(3)49-35)42(5)41-45)21(2)36(44)31-19-29-27(30(31)20-34(43)51-25)14-13-24-17-26(18-28(24)29)52-40-39(48-8)38(47-7)37(46-6)23(4)50-40/h13-14,19,21-30,32-33,35,37-40H,9-12,15-18,20H2,1-8H3/t21-,22-,23-,24?,25+,26-,27?,28?,29?,30?,32+,33+,35+,37-,38+,39+,40-/m1/s1

IUPAC

N-((2R,3S,6R)-6-(((2R,9S,13S,14R)-9-ethyl-14-methyl-7,15-dioxo-2-(((2S,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2,3,3a,5a,5b,6,7,9,10,11,12,13,14,15,16a,16b-hexadecahydro-1H-as-indaceno[3,2-d][1]oxacyclododecin-13-yl)oxy)-2-methyltetrahydro-2H-pyran-3-yl)-N-methylnitrous amide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Spinosyn

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N-Nitroso Desmethyl-spinosyn Factor A

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