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Product Overview

Product Code

TRC-E588637

Product Format

Neat

Molecular Formula

C16 D5 H13 N2 O3

Molecular Weight

291.356

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Impurity, Stable Isotope Labelled, API

Unlabelled CAS Number

69460-80-6

Documentation

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Product Information

Chemical Data

Analyte Name

Epiisopiloturine-d5

Molecular Formula

C16 D5 H13 N2 O3

Molecular Weight

291.356

Accurate Mass

291.163

SMILES

[2H]c1c([2H])c([2H])c([C@@H](O)[C@@H]2[C@@H](Cc3cn(C)cn3)COC2=O)c([2H])c1[2H]

InChI

InChI=1S/C16H18N2O3/c1-18-8-13(17-10-18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3/t12-,14-,15+/m0/s1/i2D,3D,4D,5D,6D

IUPAC

(3S,4R)-3-[(S)-hydroxy-(2,3,4,5,6-pentadeuteriophenyl)methyl]-4-[(1-methylimidazol-4-yl)methyl]oxolan-2-one

Unlabelled CAS Number

69460-80-6

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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