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Product Overview

Product Code

TRC-G388000

CAS Number

52286-59-6

Product Format

Neat

Molecular Formula

C48 H82 O18

Molecular Weight

947.15

API Family

Ginsenoside

Product Categories

TRC, Dye and Metabolite Reference Materials, Pharmaceutical Toxicology Reference Materials

Product Type

Bioactive small molecule

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Ginsenoside Re

CAS Number

52286-59-6

Molecular Formula

C48 H82 O18

Molecular Weight

947.15

Accurate Mass

946.5501

SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]3C[C@]4(C)[C@H](C[C@@H](O)[C@@H]5[C@H](CC[C@@]45C)[C@](C)(CCC=C(C)C)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@]7(C)CC[C@H](O)C(C)(C)[C@H]37)[C@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C48H82O18/c1-21(2)11-10-14-48(9,66-42-38(60)35(57)32(54)26(19-49)63-42)23-12-16-46(7)30(23)24(51)17-28-45(6)15-13-29(52)44(4,5)40(45)25(18-47(28,46)8)62-43-39(36(58)33(55)27(20-50)64-43)65-41-37(59)34(56)31(53)22(3)61-41/h11,22-43,49-60H,10,12-20H2,1-9H3/t22-,23-,24+,25-,26+,27+,28+,29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,45+,46+,47+,48-/m0/s1

IUPAC

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5S,6R)-2-[[(3S,5R,6S,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-17-[(2S)-6-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ginsenoside

Purity

>95% (HPLC)

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