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Product Overview

Product Code

TRC-D204500

CAS Number

213767-22-7

Product Format

Neat

Molecular Formula

C45 H55 N O14

Molecular Weight

833.92

API Family

Paclitaxel

Product Categories

TRC, Impurity Reference Materials , Chiral Molecules

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

2-Debenzoyl Paclitaxel 2-Pentanoate

CAS Number

213767-22-7

Molecular Formula

C45 H55 N O14

Molecular Weight

833.92

Accurate Mass

833.3623

SMILES

CCCCC(=O)O[C@H]1[C@@H]2[C@@]3(CO[C@@H]3C[C@H](O)[C@@]2(C)C(=O)[C@H](OC(=O)C)C4=C(C)[C@H](C[C@]1(O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c5ccccc5)c6ccccc6)OC(=O)C

InChI

InChI=1S/C45H55NO14/c1-8-9-20-32(50)59-39-37-43(7,30(49)21-31-44(37,23-56-31)60-26(4)48)38(52)36(57-25(3)47)33-24(2)29(22-45(39,55)42(33,5)6)58-41(54)35(51)34(27-16-12-10-13-17-27)46-40(53)28-18-14-11-15-19-28/h10-19,29-31,34-37,39,49,51,55H,8-9,20-23H2,1-7H3,(H,46,53)/t29-,30-,31+,34-,35+,36+,37-,39-,43+,44-,45+/m0/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] pentanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat

API Family

Paclitaxel

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