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284963 Sigma-Aldrich

Aconitine

95%

Synonym: Acetylbenzoylaconine

  • CAS Number 302-27-2

  • Empirical Formula (Hill Notation) C34H47NO11

  • Molecular Weight 645.74

  •  Beilstein/REAXYS Number 74608

  •  EC Number 206-121-7

  •  MDL number MFCD00082375

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Properties

assay   95%
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 & Documentation

Safety Information

Symbol 
GHS06  GHS06
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 1544PSN1 6.1 / PGI
WGK Germany 
2
RTECS 
AR5960000
Protocols & Articles
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