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Key Documents

SMB00319

Sigma-Aldrich

Mesaconitine

≥97% (HPLC)

Synonym(s):

Mesaconitine, (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:
Molecular Weight:
631.71
UNSPSC Code:
12352205
PubChem Substance ID:
NACRES:
NA.25

Quality Level

Assay

≥97% (HPLC)

form

powder

application(s)

metabolomics
vitamins, nutraceuticals, and natural products

storage temp.

−20°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

Mesaconitine is an alkaloid from Aconitum japonicum, used in Japan and China to increase peripheral body temperature. Phytotoxin.

Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 1 Oral

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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