Digitalin
cas: 752-61-4 — see every product listed under this CAS number, including other names
Digitalin (CAS 752-61-4) is a chemical reagent available from Chemat. Available pack sizes: on request, 5 mg, 1 mg. Offered by: Chemat Brand, MedChemExpress.
| brand | Chemat Brand |
|---|---|
| catalog number | RG-D095001 |
| cas | 752-61-4 |
| size | on request |
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Available pack sizes
| brand | size | price | |
|---|---|---|---|
| Chemat Brand | on request | price on request | |
| Chemat Brand | on request | price on request | |
| MedChemExpress | 5 mg | 4243.87 Pln | |
| MedChemExpress | 1 mg | 1801.13 Pln |
properties
| purity | No data |
|---|---|
| delivery time | To be confirmed by Chemat |
Digitalin is a cardenolide glycoside. It is functionally related to a gitoxigenin.
Source: ChEBI
| Molecular formula | C36H56O14 |
|---|---|
| Molecular weight | 712.8 g/mol |
| IUPAC name | 3-[(3S,5R,8R,9S,10S,13R,14S,16S,17R)-14,16-dihydroxy-3-[(2R,3R,4R,5S,6R)-3-hydroxy-4-methoxy-6-methyl-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one |
| InChIKey | CKNOLMVLQUPVMU-YMMLYESFSA-N |
| SMILES | C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)O)O)C)C)O)OC)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O |
Computed by PubChem (NCBI)