ACONITINE CRYSTALLINE
cas: 302-27-2 — see every product listed under this CAS number, including other names
ACONITINE CRYSTALLINE (CAS 302-27-2) is a chemical reagent available from Chemat. Available pack sizes: 100MG, 250MG, 25MG, 5MG. Offered by: Sigma-Aldrich.
| brand | Sigma-Aldrich |
|---|---|
| catalog number | A8001-100MG |
| cas | 302-27-2 |
| size | 100MG |
| availability | availability |
Documents:
Safety Data Sheet (MSDS)
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Available pack sizes
| brand | size | price | |
|---|---|---|---|
| Sigma-Aldrich | 100MG | 1840.00 Pln | |
| Sigma-Aldrich | 250MG | 3640.00 Pln | |
| Sigma-Aldrich | 25MG | 701.00 Pln | |
| Sigma-Aldrich | 5MG | 189.00 Pln |
properties
| purity | No data |
|---|---|
| delivery time | 1-2 weeks (only if in stock, to check click on availability) |
Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 14-positions respectively. It is functionally related to an aconitane.
Source: ChEBI
| Molecular formula | C34H47NO11 |
|---|---|
| Molecular weight | 645.7 g/mol |
| IUPAC name | [(1S,2R,3R,4R,5R,6S,7S,8R,9R,13R,14R,16S,17S,18R)-8-acetyloxy-11-ethyl-5,7,14-trihydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate |
| InChIKey | XFSBVAOIAHNAPC-XTHSEXKGSA-N |
| SMILES | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC(=O)C)OC)OC)O)COC |
Computed by PubChem (NCBI)