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Product Overview

Product Code

TRC-T893202

Product Format

Neat

Molecular Formula

C33 D12 H30 O19

Molecular Weight

754.749

Product Categories

TRC, Stable isotopes, Bioactive small molecules, Stable isotopes

Product Type

Bioactive small molecule, Stable Isotope Labelled

Unlabelled CAS Number

7085-55-4

Analytical Method

HPLC

Documentation

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Product Information

Chemical Data

Analyte Name

Troxerutin-d12

Molecular Formula

C33 D12 H30 O19

Molecular Weight

754.749

Accurate Mass

754.307

SMILES

[2H]C([2H])(O)C([2H])([2H])Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(OC([2H])([2H])C([2H])([2H])O)c(OC([2H])([2H])C([2H])([2H])O)c3)O[C@H]4OC(COC5O[C@H](C)[C@@H](O)[C@H](O)C5O)[C@H](O)[C@@H](O)[C@@H]4O

InChI

InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21?,23-,24+,26+,27-,28?,29+,32?,33-/m1/s1/i4D2,5D2,6D2,7D2,8D2,9D2

IUPAC

2-[3,4-bis(1,1,2,2-tetradeuterio-2-hydroxyethoxy)phenyl]-5-hydroxy-7-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)-3-[(2R,3S,4R,5R)-3,4,5-trihydroxy-6-[[(4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Unlabelled CAS Number

7085-55-4

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Analytical Method

HPLC

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Troxerutin-d12 (>85%)

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