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Product Overview

Product Code

TRC-T886288

Product Format

Neat

Molecular Formula

C42H59Na3O16 • x(H2O)

Molecular Weight

906.9

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials

Alternate CAS Number

71277-78-6

Documentation

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Product Information

Chemical Data

Analyte Name

Trisodium Glycyrrhizinate Hydrate

Molecular Formula

C42H59Na3O16 • x(H2O)

Molecular Weight

906.9

SMILES

CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O[C@@H]4[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)[C@H](O5)C([O-])=O)[C@@H](O)[C@H](O)[C@H](O4)C([O-])=O)C)C(C=C6[C@@H]7C[C@](CC[C@@]7(CC[C@]63C)C)(C([O-])=O)C)=O)C)C.[Na+].[Na+].[Na+].O

InChI

InChI=1S/C42H62O16.3Na.H2O/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;;;1H2/q;3*+1;/p-3/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;/m0..../s1

IUPAC

sodium (2S,3S,4S,5R,6R)-6-(((2S,3R,4S,5S,6S)-6-carboxylato-2-(((3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate hydrate

Alternate CAS Number

71277-78-6

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Product Overview

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Chemical Data

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Trisodium Glycyrrhizinate Hydrate (~90%)

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