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Product Overview

Product Code

TRC-E325620

CAS Number

82854-37-3

Product Format

Neat

Molecular Formula

C35 H46 O20

Molecular Weight

786.73

Product Categories

Additional Neuro Products, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive Small Molecule

Documentation

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Product Information

Chemical Data

Analyte Name

Echinacoside

CAS Number

82854-37-3

Molecular Formula

C35 H46 O20

Molecular Weight

786.73

Accurate Mass

786.2582

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]2OC(=O)\C=C\c5ccc(O)c(O)c5)[C@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1

IUPAC

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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Echinacoside Ethanolate

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