| 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 |
CC1O[C@H](OC2C(C)O[C@H](O[C@@H]3C(C)O[C@@H](O[C@H]4CC[C@@]5(C)[C@H](CC[C@@H]6[C@@H]5C[C@@H](O)[C@]5(C)[C@@H](C7=CC(=O)OC7)CC[C@]65O)C4)C[C@H]3O)C[C@@H]2O)C[C@H](O)C1O |
| 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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