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PHL89731

Mesaconitine

phyproof® Reference Substance

Synonym(s):

(1a,3a,6a,14a,15a,16β)-1,6,16-Trimethoxy-4-(methoxymethyl)-20-methyl-aconitane-3,8,13,14,15-pentol 8-acetate 14-benzoate

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About This Item

Empirical Formula (Hill Notation):
C33H45NO11
CAS Number:
2752-64-9
Molecular Weight:
631.71
UNSPSC Code:
41116107
NACRES:
NA.24

grade

primary reference standard

product line

phyproof® Reference Substance

assay

≥90.0% (HPLC)

manufacturer/tradename

PhytoLab

application(s)

food and beverages

format

neat

storage temp.

2-8°C

SMILES string

CC(O[C@@]12[C@@]3([H])[C@H](OC)[C@]4([H])[C@](COC)(CN(C)[C@H]35)[C@H](O)C[C@H](OC)[C@@]45[C@]([H])(C[C@@H](OC)[C@@H]2O)[C@]1([H])C(OC(C6=CC=CC=C6)=O)O)=O

InChI

1S/C32H45NO11/c1-16(34)44-32-22(29(38)43-28(37)17-10-8-7-9-11-17)18(12-19(40-4)27(32)36)31-21(41-5)13-20(35)30(15-39-3)14-33(2)26(31)23(32)24(42-6)25(30)31/h7-11,18-27,29,35-36,38H,12-15H2,1-6H3/t18-,19-,20-,21+,22-,23+,24+,25-,26?,27+,29?,30+,31+,32-/m1/s1

InChI key

IORXNCZGFBAKNU-IIEDEHCPSA-N

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General description

This substance is a primary reference substance with assigned absolute purity (considering chromatographic purity, water, residual solvents, inorganic impurities). The exact value can be found on the certificate. Produced by PhytoLab GmbH & Co. KG

Legal Information

phyproof is a registered trademark of PhytoLab GmbH & Co. KG

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 1 Oral

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
128362525
69173632

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