Aconitine

Product Specifications

CAS Number

302-27-2

Hazard Statement

Fatal if swallowed; UN number: UN1544; Packing Group: I

Purity

>95% (HPLC)

Smiles

CCN1C[C@]2(COC)[C@H](O)C[C@@H](OC)C34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)C23)[C@@H]14)[C@H]5[C@H]6OC(=O)c7ccccc7

Molecular Formula

C34 H47 N O11

Molecular Weight

645.74

InChI

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