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Product Overview

Product Code

TRC-N389950

CAS Number

20702-77-6

Product Format

Neat

Molecular Formula

C28 H36 O15

Molecular Weight

612.58

API Family

Neohesperidin-Dihydrochalcone

Product Categories

TRC, Food additives, flavours and adulterants, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Excipient Reference Materials

Product Type

Excipient

Documentation

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Product Information

Chemical Data

Analyte Name

Neohesperidin Dihydrochalcone

CAS Number

20702-77-6

Molecular Formula

C28 H36 O15

Molecular Weight

612.58

Accurate Mass

612.2054

SMILES

COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O

InChI

InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

IUPAC

1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Neohesperidin-Dihydrochalcone

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