| Name |
Digoxin |
| Formula |
C41H64O14 |
| Mw |
780.42960675 |
| CAS RN |
20830-75-5 |
| C_ID |
C00003618
, 
|
| InChIKey |
LTMHDMANZUZIPE-PIFRCJQCNA-N |
| InChICode |
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21+,23+,24-,25+,26+,27-,28-,29-,30-,31+,33+,34+,35+,36-,37-,38+,39-,40-,41-/m0/s1 |
| SMILES |
C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H](C1)O)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1C[C@@H]([C@H]([C@@H](O1)C)O[C@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1O[C@H]([C@@H]([C@H](C1)O)O)C)C)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Plantaginaceae | Digitalis grandiflora  | Ref. |
| Plantae | Plantaginaceae | Digitalis lanata | Ref. |
| Plantae | Plantaginaceae | Digitalis lutea | Ref. |
| Plantae | Plantaginaceae | Digitalis orientalis | Ref. |
| Plantae | Plantaginaceae | Digitalis purpurea | Ref. |
|
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