Product Code

TRC-P270450

CAS Number

14937-32-7

Product Format

Neat

Molecular Formula

C41 H32 O26

Molecular Weight

940.68

Product Categories

TRC, Carbohydrates

Product Type

Bioactive small molecule

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Product Information

Chemical Data

Analyte Name

1,2,3,4,6-Penta-O-galloyl-beta-D-glucopyranose

CAS Number

14937-32-7

Molecular Formula

C41 H32 O26

Molecular Weight

940.68

Accurate Mass

940.1182

SMILES

Oc1cc(cc(O)c1O)C(=O)OC[C@H]2O[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](OC(=O)c4cc(O)c(O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@@H]2OC(=O)c6cc(O)c(O)c(O)c6

InChI

InChI=1S/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-27)67-40(61)16-9-25(50)32(56)26(51)10-16/h1-10,27,33-35,41-56H,11H2/t27-,33-,34+,35-,41+/m1/s1

IUPAC

[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[(3,4,5-trihydroxybenzoyl)oxy]oxan-2-yl]methyl 3,4,5-trihydroxybenzoate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Blue Ice

Country of Origin

CANADA

Product Format

Neat

Product Description

Found to exhibit in vitro growth-inhibiting effect on human hepatocellular carcinoma cell line, SK-HEP-1 cells.

References: Oh, G-S, et al.: Cancer Letters, 174, 17 ( 2001)

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1,2,3,4,6-Penta-O-galloyl-b-D-glucopyranose (>85%)

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