Aconitine

SIAL/44787 - analytical standard

Synonym: Acetylbenzoylaconine

CAS Number: 302-27-2
Empirical Formula (Hill Notation): C₃₄H₄₇NO₁₁
Molecular Weight: 645.74
EC Number: 206-121-7
MDL Number: MFCD00082375
Linear Formula: C₃₄H₄₇NO₁₁
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-44787-10MG	10 mg	$149.00 1/EA		Add To Favorites

Properties
Safety Info.
Basic Data

application(s)	food and beverages
assay	≥95.0% (HPLC)
format	neat
grade	analytical standard
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
Quality Level	100
shelf life	limited shelf life, expiry date on the label
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
storage temp.	−20°C

Symbol	GHS06
Signal word	Danger
Hazard statements	H300 + H330
Precautionary statements	P301 + P310 + P330 - P304 + P340 + P310
RIDADR	UN 1544PSN1 6.1 / PGI
WGK Germany	WGK 1
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	≥95.0% (HPLC)
Storage Temp.	−20°C
UNSPSC	85151701

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