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Product Overview

Product Code

TRC-O662000

CAS Number

1030825-28-5

Product Format

Neat

Molecular Formula

C48H68Cl2O17

Molecular Weight

987.95

API Family

Fidaxomicin

Product Categories

Impurity Reference Materials , TRC, API Reference Standards & Research Materials

Product Type

Bioactive small molecule, Metabolite, API

Documentation

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Product Information

Chemical Data

Analyte Name

OP-1118

CAS Number

1030825-28-5

Molecular Formula

C48H68Cl2O17

Molecular Weight

987.95

Accurate Mass

986.3834

SMILES

O=C1/C(CO[C@H]2[C@@H](OC)[C@@H](O)[C@H](OC(C3=C(CC)C(Cl)=C(O)C(Cl)=C3O)=O)[C@@H](C)O2)=C\C=C/C[C@H](O)/C(C)=C\[C@H](CC)[C@@H](O[C@@]4([H])[C@H](O)[C@H](O)[C@@H](O)C(C)(C)O4)/C(C)=C\C(C)=C/C[C@]([C@H](O)C)([H])O1

InChI

InChI=1S/C48H68Cl2O17/c1-11-27-20-23(4)30(52)16-14-13-15-28(21-62-47-42(61-10)39(57)41(26(7)63-47)65-45(60)32-29(12-2)33(49)36(54)34(50)35(32)53)44(59)64-31(25(6)51)18-17-22(3)19-24(5)40(27)66-46-38(56)37(55)43(58)48(8,9)67-46/h13-15,17,19-20,25-27,30-31,37-43,46-47,51-58H,11-12,16,18,21H2,1-10H3/b14-13+,22-17+,23-20+,24-19+,28-15+/t25-,26-,27+,30+,31+,37-,38+,39+,40+,41-,42+,43+,46-,47-/m1/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Fidaxomicin

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