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Product Overview

Product Code

TRC-O686520

CAS Number

686744-60-5

Product Format

Neat

Molecular Formula

C31H57NO5

Molecular Weight

523.79

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

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Product Information

Chemical Data

Analyte Name

Orlistat Tetradecyl Ester

CAS Number

686744-60-5

Molecular Formula

C31H57NO5

Molecular Weight

523.79

Accurate Mass

523.4237

SMILES

CCCCCCCCCCCCC[C@@H](C[C@@H]1OC(=O)[C@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O

InChI

InChI=1S/C31H57NO5/c1-5-7-9-11-12-13-14-15-16-17-18-20-26(36-31(35)28(32-24-33)22-25(3)4)23-29-27(30(34)37-29)21-19-10-8-6-2/h24-29H,5-23H2,1-4H3,(H,32,33)/t26-,27-,28-,29-/m0/s1

IUPAC

[(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentadecan-2-yl] (2S)-2-formamido-4-methylpentanoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

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