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Product Overview

Product Code

TRC-A189875

CAS Number

302-27-2

Product Format

Neat

Molecular Formula

C34 H47 N O11

Molecular Weight

645.74

Product Categories

Pharmaceutical Reference Standards, TRC, Alkaloids, Phytochemical Reference Materials and Research Tools, Sodium Channel, Epilepsy, Stroke, Pain and Inflammation, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , API Reference Standards & Research Materials

Product Type

API

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Aconitine

CAS Number

302-27-2

Molecular Formula

C34 H47 N O11

Molecular Weight

645.74

Accurate Mass

645.3149

Flash Point

SMILES

CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c7ccccc7

InChI

InChI=1S/C34H47NO11/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,31+,32-,33+,34-/m1/s1

IUPAC

[(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Purity

>95% (HPLC)

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