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Product Overview

Product Code

TRC-D422110

CAS Number

114915-16-1

Product Format

Neat

Molecular Formula

C44 H47 Cl6 N O16

Molecular Weight

1058.56

Product Categories

TRC, API Reference Standards & Research Materials

Product Type

API

Product Information

Chemical Data

Analyte Name

N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)ox

CAS Number

114915-16-1

Molecular Formula

C44 H47 Cl6 N O16

Molecular Weight

1058.56

Accurate Mass

1055.1026

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)[C@H](O)[C@@H](N)c6ccccc6)C(=C([C@@H](OC(=O)OCC(Cl)(Cl)Cl)C3=O)C5(C)C)C

InChI

InChI=1S/C44H47Cl6NO16/c1-21-25(63-36(56)30(53)29(51)23-12-8-6-9-13-23)17-42(59)34(66-35(55)24-14-10-7-11-15-24)32-40(5,33(54)31(28(21)39(42,3)4)65-38(58)62-20-44(48,49)50)26(64-37(57)61-19-43(45,46)47)16-27-41(32,18-60-27)67-22(2)52/h6-15,25-27,29-32,34,53,59H,16-20,51H2,1-5H3/t25-,26-,27+,29-,30+,31+,32-,34-,40+,41-,42+/m0/s1

Product Data

Storage Temperature

+4°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

Product Description

An intermediate in partial synthesis of major human metabolites of Docetaxel (D494420), an antineoplastic.

References: Ojima, I., et al.: J. Med. Chem., 40, 279

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N-Des-t-boc-10-deacetyl-7,10-O-bis{[(2,2,2-trichloroethyl)oxy]carbonyl} Docetaxel

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