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Product Overview

Product Code

TRC-I940815

CAS Number

71827-03-7

Product Format

Neat

Molecular Formula

C48 H74 O14

Molecular Weight

875.09

API Family

Ivermectin

Product Categories

TRC, Chiral Molecules , Pharmaceutical Reference Standards, Impurity Reference Materials , Anthelminitics, Antiparasitics, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

Impurity, Metabolite, API, Synthesis tool

Alternate CAS Number

70161-11-4; 73910-57-3; 116522-39-5; 123022-60-6; 139645-33-3; 923580-16-9

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Ivermectin B1a

CAS Number

71827-03-7

Molecular Formula

C48 H74 O14

Molecular Weight

875.09

Accurate Mass

874.5079

SMILES

CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)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](O)[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

InChI

InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1

IUPAC

(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-5',11,13,22-tetramethyl-6'-[(1S)-1-methylpropyl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-tetrahydropyran]-2-one

Alternate CAS Number

70161-11-4; 73910-57-3; 116522-39-5; 123022-60-6; 139645-33-3; 923580-16-9

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family

Ivermectin

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

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Ivermectin B1a (>85%)

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