Name: Chebulinic Acid(AS)
Brand: ChromaDex
SKU: CDX-00003381-005

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Product Overview

Product Code

CDX-00003381

CAS Number

18942-26-2

Product Format

Single Solution

Molecular Formula

C41 H32 O27

Molecular Weight

956.68

Product Categories

Additional phytochemical reference materials, ChromaDex

Documentation

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Product Information

Analyte Data

Analyte Name

Chebulinic Acid

CAS Number

18942-26-2

Molecular Formula

C41 H32 O27

Molecular Weight

956.68

Accurate Mass

956.1131

Melting Point

234

Appearance/Form

Powder

Color

Off white

Odor

Odourless

SMILES

O[C@@H]1[C@H]2[C@H](CC(=O)O)C(=O)O[C@@H]3[C@@H](COC(=O)c4cc(O)c(O)c(O)c4)O[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)[C@H](OC(=O)c6cc(O)c(O)c(OC1=O)c26)[C@H]3OC(=O)c7cc(O)c(O)c(O)c7

InChI

InChI=1S/C41H32O27/c42-15-1-10(2-16(43)26(15)51)35(56)62-9-22-31-33(66-36(57)11-3-17(44)27(52)18(45)4-11)34(41(63-22)68-37(58)12-5-19(46)28(53)20(47)6-12)67-38(59)13-7-21(48)29(54)32-25(13)24(30(55)40(61)65-32)14(8-23(49)50)39(60)64-31/h1-7,14,22,24,30-31,33-34,41-48,51-55H,8-9H2,(H,49,50)/t14-,22+,24-,30+,31+,33-,34+,41-/m0/s1

IUPAC

2-[(4R,5S,7R,8R,11S,12S,13S,21S)-13,17,18-trihydroxy-2,10,14-trioxo-5,21-bis[(3,4,5-trihydroxybenzoyl)oxy]-7-[(3,4,5-trihydroxybenzoyl)oxymethyl]-3,6,9,15-tetraoxatetracyclo[10.7.1.14,8.016,20]henicosa-1(19),16(20),17-trien-11-yl]acetic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Tariff Code

29322090

Product Format

Single Solution

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