Digitoxin 3'''-Acetate
cas: 1111-39-3 — see every product listed under this CAS number, including other names
Digitoxin 3'''-Acetate (CAS 1111-39-3) is a chemical reagent available from Chemat. Available pack sizes: on request, 10mg, 1mg. Offered by: Chemat Brand, TRC.
| brand | Chemat Brand |
|---|---|
| catalog number | ULD463 |
| cas | 1111-39-3 |
| size | on request |
| availability | Do potwierdzenia przez Chemat|To be confirmed by Chemat |
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Available pack sizes
| brand | size | price | |
|---|---|---|---|
| Chemat Brand | on request | price on request | |
| TRC | 10mg | price on request | |
| TRC | 1mg | price on request |
properties
| purity | No data |
|---|---|
| category | Chemicals |
| delivery time | To be confirmed by Chemat |
3'''-O-acetyldigitoxin is a cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end. It has a role as an enzyme inhibitor, an anti-arrhythmia drug and a cardiotonic drug. It is functionally related to a digitoxin.
Source: ChEBI
| Molecular formula | C43H66O14 |
|---|---|
| Molecular weight | 807.0 g/mol |
| IUPAC name | [(2R,3R,4S,6S)-3-hydroxy-6-[(2R,3S,4S,6S)-4-hydroxy-6-[(2R,3S,4S,6R)-4-hydroxy-6-[[(3S,5R,8R,9S,10S,13R,14S,17R)-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-2-methyloxan-3-yl]oxy-2-methyloxan-3-yl]oxy-2-methyloxan-4-yl] acetate |
| InChIKey | HPMZBILYSWLILX-UMDUKNJSSA-N |
| SMILES | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O |
Computed by PubChem (NCBI)