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Product Overview

Product Code

TRC-D198965

CAS Number

90332-63-1

Product Format

Neat

Molecular Formula

C50 H57 N O17

Molecular Weight

943.98

API Family

Paclitaxel

Product Categories

Chiral Molecules , TRC, Impurity Reference Materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

10-Deacetyl-7-xylotaxol

CAS Number

90332-63-1

Molecular Formula

C50 H57 N O17

Molecular Weight

943.98

Accurate Mass

943.3626

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@]4(C)[C@@H]2[C@H](OC(=O)c5ccccc5)[C@]6(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c7ccccc7)c8ccccc8)C(=C([C@@H](O)C4=O)C6(C)C)C

InChI

InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1

IUPAC

[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

Impurity Type

Intermediate

API Family

Paclitaxel

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Product Overview

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Chemical Data

Product Data

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10-Deacetyl-7-xylosyl Paclitaxel (62%)

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