MilliporeSigma
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44787

Supelco

Aconitine

analytical standard

Synonym(s):
Acetylbenzoylaconine
Empirical Formula (Hill Notation):
C34H47NO11
CAS Number:
Molecular Weight:
645.74
Beilstein:
74608
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.24

grade

analytical standard

Quality Level

assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

application(s)

food and beverages

format

neat

storage temp.

−20°C

SMILES string

CCN1C[C@]2(COC)[C@H](O)C[C@@H](OC)C34C5C[C@]6(O)[C@@H](OC)[C@H](O)[C@@](OC(C)=O)(C5[C@H]6OC(=O)c7ccccc7)C([C@H](OC)C23)C14

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

InChI key

XFSBVAOIAHNAPC-VBUFWTEXSA-N

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Pictograms

Skull and crossbones

Signal Word

Danger

Hazard Statements

Hazard Classifications

Acute Tox. 1 Oral - Acute Tox. 2 Inhalation

Storage Class Code

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

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

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Certificate of Origin

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