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Product Overview

Product Code

TRC-D534500

CAS Number

117704-25-3

Product Format

Neat

Regulatory Method

EU_2010_37

Molecular Formula

C50 H74 O14

Molecular Weight

899.11

API Family

Doramectin

Product Categories

TRC, Infectious Disease Research Chemicals and Analytical Standards, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , API Reference Standards & Research Materials

Product Type

API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Doramectin

CAS Number

117704-25-3

Molecular Formula

C50 H74 O14

Molecular Weight

899.11

Accurate Mass

898.5079

SMILES

CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](O)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H](C8CCCCC8)[C@@H](C)C=C7)[C@]45O)C)O[C@@H](C)[C@@H]1O

InChI

InChI=1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/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-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Doramectin

Purity

>95% (HPLC)

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