Name: 7,10,13-Tri-O-trichloroethoxycarbonyl-10-deacetyl Baccatin III
Brand: TRC
SKU: TRC-T774060-50MG

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Product Overview

Product Code

TRC-T774060-50MG

CAS Number

110258-92-9

Product Format

Neat

Molecular Formula

C38H39Cl9O16

Molecular Weight

1070.78

Product Categories

TRC

Product Type

Impurity

Documentation

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Product Information

Analyte Name

7,10,13-Tri-O-trichloroethoxycarbonyl-10-deacetyl Baccatin III

CAS Number

110258-92-9

Molecular Formula

C38H39Cl9O16

Molecular Weight

1070.78

Accurate Mass

1065.9435

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)OCC(Cl)(Cl)Cl)C(=C([C@@H](OC(=O)OCC(Cl)(Cl)Cl)C3=O)C5(C)C)C

InChI

InChI=1S/C38H39Cl9O16/c1-17-20(59-29(51)56-14-36(39,40)41)12-35(54)27(62-28(50)19-9-7-6-8-10-19)25-33(5,26(49)24(23(17)32(35,3)4)61-31(53)58-16-38(45,46)47)21(60-30(52)57-15-37(42,43)44)11-22-34(25,13-55-22)63-18(2)48/h6-10,20-22,24-25,27,54H,11-16H2,1-5H3/t20-,21-,22+,24+,25-,27-,33+,34-,35+/m0/s1

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

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