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Product Overview

Product Code

TRC-D288490

Product Format

Neat

Molecular Formula

C48H59NO16

Molecular Weight

905.98

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

N-Desbenzoyl-N-tert-butoxycarbonyl-N,O-isopropylidene 6alpha-Hydroxy Paclitaxel

Molecular Formula

C48H59NO16

Molecular Weight

905.98

Accurate Mass

905.38

SMILES

O=C([C@H]1OC(C)=O)[C@@]2(C)[C@]([C@@](CO3)(OC(C)=O)[C@H]3[C@@H](O)[C@@H]2O)([H])[C@H](OC(C4=CC=CC=C4)=O)[C@]5(O)C[C@H](OC([C@H](OC6(C)C)[C@@H](C7=CC=CC=C7)N6C(OC(C)(C)C)=O)=O)C(C)=C1C5(C)C

InChI

InChI=1S/C48H59NO16/c1-24-29(61-41(56)34-31(27-18-14-12-15-19-27)49(45(9,10)64-34)42(57)65-43(4,5)6)22-48(58)39(62-40(55)28-20-16-13-17-21-28)35-46(11,37(54)33(60-25(2)50)30(24)44(48,7)8)36(53)32(52)38-47(35,23-59-38)63-26(3)51/h12-21,29,31-36,38-39,52-53,58H,22-23H2,1-11H3/t29-,31+,32-,33-,34+,35-,36-,38+,39-,46-,47+,48+/m0/s1

IUPAC

3-(tert-butyl) 5-((2aR,3S,4R,4aS,6S,9S,11S,12S,12aR,12bS)-6,12b-diacetoxy-12-(benzoyloxy)-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-9-yl) (4R,5R)-2,2-dimethyl-4-phenyloxazolidine-3,5-dicarboxylate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-Desbenzoyl-N-tert-butoxycarbonyl-N,O-isopropylidene 6Alpha-Hydroxy Paclitaxel

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