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Product Overview

Product Code

TRC-R701800

CAS Number

153-18-4

Product Format

Neat

Molecular Formula

C27 H30 O16

Molecular Weight

610.52

API Family

Rutin

Product Categories

Reference Materials for Smoking-Related Substances , API Reference Standards & Research Materials, TRC, Pharmaceutical Toxicology Reference Materials

Product Type

Impurity, Metabolite, API

Alternate CAS Number

Hydrate: 207671-50-9; Trihydrate: 250249-75-3

Documentation

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Product Information

Chemical Data

Analyte Name

Rutin

CAS Number

153-18-4

Molecular Formula

C27 H30 O16

Molecular Weight

610.52

Accurate Mass

610.1534

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1

IUPAC

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one

Alternate CAS Number

Hydrate: 207671-50-9; Trihydrate: 250249-75-3

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Rutin

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