44787
Aconitine
analytical standard
Synonym(s):
Acetylbenzoylaconine
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About This Item
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
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 key
XFSBVAOIAHNAPC-VBUFWTEXSA-N
grade
analytical standard
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
Quality Level
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Related Categories
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 1 Oral - Acute Tox. 2 Inhalation
Storage Class
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
Regulatory Information
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