44787

Aconitine

analytical standard

• Synonym(s): Acetylbenzoylaconine
• Empirical Formula (Hill Notation): C₃₄H₄₇NO₁₁
• CAS Number: 302-27-2
• Molecular Weight: 645.74
• Beilstein/REAXYS Number: 74608
• EC Number: 206-121-7
• MDL number: MFCD00082375
• UNSPSC Code: 85151701
• PubChem Substance ID: 329756547
• NACRES: NA.24

Properties

• grade: analytical standard
• Quality Level: 100
• 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

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H300 + H330
• pcodes: P260 - P264 - P271 - P284 - P304 + P340 + P310 - P403 + P233
• 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_germany: WGK 1
• flash_point_f: Not applicable
• flash_point_c: Not applicable