A189875
Aconitine
| Trivial name | Aconitine |
| Catalog Number | TRC-A189875-5MG |
| Alternative Name(s) | (1α,3α,6α,14α,15α,16β)-20-Ethyl-1,6,16-trimethoxy-4-(methoxymethyl)aconitane-3,8,13,14,15-pentol 8-Acetate 14-Benzoate; |
| Molecular Formula | C₃₄H₄₇NO₁₁ |
| CAS# | 302-27-2 |
| 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 |
| SMILES | O[C@@]1([C@@H](OC)[C@@H]2O)[C@H](OC(C3=CC=CC=C3)=O)[C@]([C@@]4([H])C1)([H])[C@@]2(OC(C)=O)[C@@]5([H])[C@H](OC)[C@@]6([H])C74[C@@]5([H])N(CC)C[C@](COC)6[C@H](O)C[C@H]7OC |
| Beilstein Registry Number | NA |
| Size | 5mg |
| Supplier Page | https://www.lgcstandards.com/CA/en/p/TRC-A189875-5MG |